SCHEMBL2011076

SCHEMBL2011076

CCC(O[N+](=O)[O-])C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.37
GSR P00390 1/20 0.35
CPA1 P15085 1/20 0.34
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.31
CA2 P00918 1/20 0.30
MAPK1 P28482 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
CHRM1 P11229 1/20 0.30
AKR1A1 P14550 1/20 0.30
CHRM3 P20309 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
ADRA1A P35348 1/20 0.30
HRH1 P35367 1/20 0.30
DRD3 P35462 1/20 0.30
SLC6A3 Q01959 1/20 0.30
HDAC1 Q13547 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Methane SCHEMBL2010336 0.98 SMN1; SMN2 (0.36) SMN1; SMN2GSRCPA1ALDH1A1
Ethane SCHEMBL2015992 0.98 SMN1; SMN2 (0.36) SMN1; SMN2GSRCPA1ALDH1A1
SCHEMBL14894476 0.83 CHRM1 (0.41) GSRCPA1TSHRCA2MAPK1
SCHEMBL5496046 0.81 ALDH1A1 (0.37) GSRALDH1A1
SCHEMBL2802345 0.81 CA1 (0.32) GSRALDH1A1CA2
SCHEMBL1042135 0.80 CA2 (0.42) ALDH1A1CA2MAPK1MAPTCHRM1
SCHEMBL2010335 0.79 CA1 (0.37) SMN1; SMN2GSRALDH1A1CA2KMT2A
SCHEMBL2015989 0.79 ALDH1A1 (0.36) ALDH1A1MAPT
SCHEMBL15661863 0.79 ACE2 (0.44) CA2MAPK1MAPT
SCHEMBL2014543 0.78 ALDH1A1 (0.31) ALDH1A1MEN1MAPTKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115038704-A Nitrogen oxide donating PDE-5 and/or PDE-6 inhibitor compounds 日东制药股份有限公司 2022-09-09 CN disclosed
US-9365489-B2 Nitrooxy alkanoic acids and derivatives thereof in feed for reducing methane emission in ruminants, and/or to improve ruminant performance DSM IP ASSETS B.V. (NL) 2016-06-14 US disclosed
US-8784871-B2 Nitrooxy alkanoic acids and derivatives thereof in feed for reducing methane emission in ruminants, and/or to improve ruminant performance DSM IP ASSETS B.V. (NL) 2014-07-22 US disclosed
US-20140134282-A1 NITROOXY ALKANOIC ACIDS AND DERIVATIVES THEREOF IN FEED FOR REDUCING METHANE EMISSION IN RUMINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE DSM IP ASSETS B.V. (NL) 2014-05-15 US disclosed
EP-2509435-B1 NITROOXY ALKANOIC ACIDS AND DERIVATIVES THEREOF IN FEED FOR REDUCING METHANE EMISSION IN RUMINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE DSM IP ASSETS BV (NL) 2014-02-26 EP disclosed
US-20120315339-A1 NITROOXY ALKANOIC ACIDS AND DERIVATIVES THEREOF IN FEED FOR REDUCING METHANE EMISSION IN RUMINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE DSM IP ASSETS B.V. (NL) 2012-12-13 US disclosed
EP-2509435-A1 NITROOXY ALKANOIC ACIDS AND DERIVATIVES THEREOF IN FEED FOR REDUCING METHANE EMISSION IN RUMINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE DSM IP Assets B.V. (NL) 2012-10-17 EP disclosed
WO-2011070133-A1 NITROOXY ALKANOIC ACIDS AND DERIVATIVES THEREOF IN FEED FOR REDUCING METHANE EMISSION IN RUMINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE DSM IP ASSETS B.V. (NL) 2011-06-16 WO disclosed
EP-2250164-A2 ANGIOTENSIN II RECEPTOR BLOCKER DERIVATIVES Nicox S.A. (FR) 2010-11-17 EP disclosed
US-7605151-B2 angiogenesis inhibitor; antiinflammatory agents; immunosuppressants; steroids conjugated compound NICOX S.A. (FR) 2009-10-20 US disclosed
EP-1347744-A1 SOLID DISPERSIONS OF NITRATE ACTIVE PRINCIPLES Nicox S.A. (FR) 2003-10-01 EP disclosed
US-6610676-B1 Treating arthritis NICOX S.A. (FR) 2003-08-26 US disclosed
EP-0941218-B1 ANTITHROMBOTIC ORGANIC NITRATES NICOX SA (FR) 2002-10-16 EP disclosed
WO-2002051385-A1 SOLID DISPERSIONS OF NITRATE ACTIVE PRINCIPLES NICOX S.A. (FR) 2002-07-04 WO disclosed
EP-0929565-B1 NITRATE ESTERS OF CORTICOID COMPOUNDS AND PHARMACEUTICAL APPLICATIONS THEREOF NICOX SA (FR) 2002-05-29 EP disclosed
US-6242432-B1 ANTIHYPERTENSIVE ACTIVITY, ANTIHYPERSENSITIVE ACTIVITY; TREATMENT OF CARDIOVASCULAR DISEASE NICOX S.A. (FR) 2001-06-05 US disclosed
EP-0941218-A1 ANTITHROMBOTIC ORGANIC NITRATES NICOX S.A. (FR) 1999-09-15 EP disclosed
EP-0929565-A2 NITRATE ESTERS OF CORTICOID COMPOUNDS AND PHARMACEUTICAL APPLICATIONS THEREOF NICOX S.A. (FR) 1999-07-21 EP disclosed
WO-1998021193-A1 ANTITHROMBOTIC ORGANIC NITRATES NICOX S.A. (FR) 1998-05-22 WO disclosed
WO-1998015568-A2 NITRATE ESTERS OF CORTICOID COMPOUNDS AND PHARMACEUTICAL APPLICATIONS THEREOF NICOX S.A. (FR) 1998-04-16 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140134282-A1 NITROOXY ALKANOIC ACIDS AND DERIVATIVES THEREOF IN FEED FOR REDUCING METHANE EMISSION IN RUMINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE PIGS, TECR, CYP4X1 SMN1; SMN2 2809/4885GSR 85/4885CPA1 2043/4885
US-20120315339-A1 NITROOXY ALKANOIC ACIDS AND DERIVATIVES THEREOF IN FEED FOR REDUCING METHANE EMISSION IN RUMINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE PIGS, TECR, CYP4X1 SMN1; SMN2 2809/4885GSR 85/4885CPA1 2043/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.