SCHEMBL264241

SCHEMBL264241

O=[N+]([O-])C1CCCCCCCCCCC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSR P00390 2/20 0.38
ADH1B P00325 1/20 0.32
ADH1C P00326 1/20 0.32
ADH1A P07327 1/20 0.32
ADH4 P08319 1/20 0.32
HSP90AA1 P07900 1/20 0.31
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 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
SCHEMBL1192805 1.00 GSR (0.38) GSRADH1BADH1CADH1AADH4
SCHEMBL1192208 1.00 GSR (0.38) GSRADH1BADH1CADH1AADH4
SCHEMBL1170408 1.00 GSR (0.38) GSRADH1BADH1CADH1AADH4
SCHEMBL28464401 1.00 GSR (0.38) GSRADH1BADH1CADH1AADH4
SCHEMBL1192951 1.00 GSR (0.38) GSRADH1BADH1CADH1AADH4
SCHEMBL1192536 1.00 GSR (0.38) GSRADH1BADH1CADH1AADH4
SCHEMBL62178 1.00
Methane SCHEMBL11766489 0.97 GSR (0.37) GSRADH1BADH1CADH1AADH4
SCHEMBL27835694 0.97 GSR (0.37) GSRADH1BADH1CADH1AADH4
SCHEMBL264764 0.97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10618873-B2 Method for producing C4-C15 lactams BASF SE (DE) 2020-04-14 US disclosed
US-20190040005-A1 METHOD FOR PRODUCING C4-C15 LACTAMS BASF SE (DE) 2019-02-07 US disclosed
EP-2563856-B1 ELASTOMERIC NANOCOMPOSITES EXXONMOBIL CHEMICAL PATENTS INC (US) 2018-12-05 EP disclosed
EP-1765926-B1 PROCESSES FOR MAKING POLYMERIC NANOCOMPOSITES EXXONMOBIL CHEMICAL PATENTS INC (US) 2018-07-25 EP disclosed
EP-2134753-B1 METHOD AND APPARATUS FOR DECREASING POLYMER DEPOSITION EXXONMOBIL CHEMICAL PATENTS INC (US) 2017-10-25 EP disclosed
EP-2668227-B1 ELASTOMERIC NANOCOMPOSITES, NANOCOMPOSITE COMPOSITIONS, AND METHODS OF MANUFACTURE EXXONMOBIL CHEMICAL PATENTS INC (US) 2017-04-12 EP disclosed
EP-1836266-B1 MODIFIED LAYERED FILLERS AND THEIR USE TO PRODUCE NANOCOMPOSITE COMPOSITIONS EXXONMOBIL CHEMICAL PATENTS INC (US) 2017-04-05 EP disclosed
CN-106398008-A Elastomeric nanocomposite manufacturing 埃克森美孚化学专利公司 2017-02-15 CN disclosed
US-20170009053-A1 Nanocomposite Mooney Viscosity Stability EXXONMOBIL CHEMICAL PATENTS INC. 2017-01-12 US disclosed
EP-3110749-A1 NANOCOMPOSITE MOONEY VISCOSITY STABILITY ExxonMobil Chemical Patents Inc. (US) 2017-01-04 EP disclosed
WO-2004058829-A1 POLYMERIZATION PROCESSES EXXONMOBIL CHEMICAL PATENTS, INC. (US) 2004-07-15 WO disclosed
WO-2004058836-A1 POLYMERS WITH NEW SEQUENCE DISTRIBUTIONS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-07-15 WO disclosed
WO-2004058828-A1 POLYMERIZATION PROCESSES EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-07-15 WO disclosed
WO-2004058825-A2 POLYMERS WITH NEW SEQUENCE DISTRIBUTIONS EXXONMOBIL CHEMICAL PATENTS, INC. (US) 2004-07-15 WO disclosed
CN-1443734-A Process for producing organic compound using nitrite DAICEI CHEMICAL IND LTD (JP) 2003-09-24 CN disclosed
US-20030171618-A1 Process for producing organic compounds using nitrites DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2003-09-11 US disclosed
EP-1342715-A2 Process for producing oximes using nitirites Daicel Chemical Industries, Ltd. (JP) 2003-09-10 EP disclosed
CN-1304398-A Process for preparation of nitro compound and method for removal of nitrogen dioxide DAICEL CHEM (JP) 2001-07-18 CN disclosed
EP-1099684-A1 PROCESS FOR THE PREPARATION OF NITRO COMPOUNDS AND METHOD FOR THE REMOVAL OF NITROGEN DIOXIDE Daicel Chemical Industries, Ltd. (JP) 2001-05-16 EP disclosed
US-3989755-A CATALYST COMPRISING SELENIUM METAL OR INORGANIC SALTS, AND A BASE ATLANTIC RICHFIELD COMPANY (US) 1976-11-02 US 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 (3 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-20030171618-A1 Process for producing organic compounds using nitrites NOS1, NOS2, NOS3 GSR 282/4885ADH1B 169/4885ADH1C 168/4885
US-20190040005-A1 METHOD FOR PRODUCING C4-C15 LACTAMS C5, C1S, C9 GSR 2966/4885ADH1B 132/4885ADH1C 11/4885
US-10618873-B2 Method for producing C4-C15 lactams C5, C1S, C9 GSR 2966/4885ADH1B 132/4885ADH1C 11/4885

“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.