SCHEMBL334738

SCHEMBL334738

CC(=O)ONC(=O)C=[N+]=[N-]

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL7950676 0.70
SCHEMBL7122826 0.69
SCHEMBL28979166 0.68 TSHR (0.39) ALDH1A1
SCHEMBL28489822 0.67 ALDH1A1 (0.45) ALDH1A1
SCHEMBL13450354 0.65 ALDH1A1 (0.32) ALDH1A1
SCHEMBL7074997 0.65
SCHEMBL8334187 0.65
SCHEMBL1563009 0.65
SCHEMBL8362402 0.64 TAS1R3 (0.32) ALDH1A1
SCHEMBL10811153 0.63

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9994595-B2 Catalyst and battery components derived from condensation reactions with carba-closo-dodecaborate amines THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-06-12 US disclosed
US-20170084954-A1 CATALYST AND BATTERY COMPONENTS DERIVED FROM CONDENSATION REACTIONS WITH CARBA-CLOSO-DODECABORATE AMINES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-03-23 US disclosed
WO-2015139060-A1 CATALYST AND BATTERY COMPONENTS DERIVED FROM CONDENSATION REACTIONS WITH CARBA-CLOSO-DODECABORATE AMINES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-09-17 WO disclosed
US-8558017-B2 Ruthenium (II) catalysts for use in stereoselective cyclopropanations VANDA PHARMACEUTICALS, INC. (US) 2013-10-15 US disclosed
US-20130023662-A9 RUTHENIUM (II) CATALYSTS FOR USE IN STEREOSELECTIVE CYCLOPROPANATIONS VANDA PHARMECEUTICALS INC. (US) 2013-01-24 US disclosed
US-20120149906-A1 RUTHENIUM (II) CATALYSTS FOR USE IN STEREOSELECTIVE CYCLOPROPANATIONS VANDA PHARMECEUTICALS INC. (US) 2012-06-14 US disclosed
US-8110699-B2 Cobalt-catalyzed asymmetric cyclopropanation of alkenes with α-nitrodiazoacetates UNIVERSITY OF SOUTH FLORIDA (US) 2012-02-07 US disclosed
US-8097738-B2 Ruthenium (II) catalysts for use in stereoselective cyclopropanations VANDA PHARMACEUTICALS INC. (US) 2012-01-17 US disclosed
US-7847041-B2 Cobalt-catalyzed asymmetric cyclopropanation of electron-deficient olefins UNIVERSITY OF SOUTH FLORIDA (US) 2010-12-07 US disclosed
US-20100228039-A1 RUTHENIUM (II) CATALYSTS FOR USE IN STEREOSELECTIVE CYCLOPROPANATIONS VANDA PHARMECEUTICALS INC. (US) 2010-09-09 US disclosed
US-7754902-B2 Ruthenium(II) catalysts for use in stereoselective cyclopropanations VANDA PHARMACEUTICALS, INC. (US) 2010-07-13 US disclosed
US-20100081838-A1 Cobalt-Catalyzed Asymmetric Cyclopropanation of Alkenes with alpha-Nitrodiazoacetates UNIVERSITY OF SOUTH FLORIDA (US) 2010-04-01 US disclosed
US-20100076239-A1 ASYMMETRIC CYCLOPROPANATION OF ELECTRON-DEFICIENT OLEFINS WITH DIAZO REAGENTS UNIVERSITY OF SOUTH FLORIDA (US) 2010-03-25 US disclosed
US-20090069519-A1 COBALT-CATALYZED ASYMMETRIC CYCLOPROPANATION OF ELECTRON-DEFICIENT OLEFINS NATIONAL SCIENCE FOUNDATION 2009-03-12 US disclosed
US-20070270593-A1 Ruthenium(II) catalysts for use in stereoselective cyclopropanations R.P. SCHERER TECHNOLOGIES, INC. 2007-11-22 US disclosed
EP-0594608-B1 CHIRAL CATALYSTS FOR ENANTIOSELECTIVE SYNTHESIS RES CORP TECHNOLOGIES INC (US) 1997-10-15 EP disclosed
US-5175311-A Reacting olefin with carbene precursor RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1992-12-29 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 (7 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-20120149906-A1 RUTHENIUM (II) CATALYSTS FOR USE IN STEREOSELECTIVE CYCLOPROPANATIONS RUVBL2, SPR, RUVBL1 ALDH1A1 2164/4885
US-20170084954-A1 CATALYST AND BATTERY COMPONENTS DERIVED FROM CONDENSATION REACTIONS WITH CARBA-CLOSO-DODECABORATE AMINES NUDC, NCAPH, C2CD5 ALDH1A1 4533/4885
US-20100076239-A1 ASYMMETRIC CYCLOPROPANATION OF ELECTRON-DEFICIENT OLEFINS WITH DIAZO REAGENTS DUOX2, DUOX1, PPOX ALDH1A1 1047/4885
US-20130023662-A9 RUTHENIUM (II) CATALYSTS FOR USE IN STEREOSELECTIVE CYCLOPROPANATIONS RUVBL2, SPR, RUVBL1 ALDH1A1 2164/4885
US-20100081838-A1 Cobalt-Catalyzed Asymmetric Cyclopropanation of Alkenes with alpha-Nitrodiazoacetates PPOX, IDH3A, HMOX2 ALDH1A1 665/4885
US-20100228039-A1 RUTHENIUM (II) CATALYSTS FOR USE IN STEREOSELECTIVE CYCLOPROPANATIONS RUVBL2, SPR, RUVBL1 ALDH1A1 2164/4885
US-20070270593-A1 Ruthenium(II) catalysts for use in stereoselective cyclopropanations RUVBL2, SPR, RUVBL1 ALDH1A1 2164/4885

“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.