SCHEMBL7528501

SCHEMBL7528501

CC=CCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
TSHR P16473 1/20 0.55
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.46
ACHE P22303 2/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
MAOB P27338 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.41
CYP2C19 P33261 1/20 0.41
BCHE P06276 1/20 0.41

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
SCHEMBL1802351 0.85 ALDH1A1 (0.58) ALDH1A1TSHRHPGDHSD17B10ACHE
SCHEMBL6158455 0.82 ALDH1A1 (0.55) ALDH1A1TSHRHPGDHSD17B10ACHE
SCHEMBL3258912 0.82 ALDH1A1 (0.55) ALDH1A1TSHRHPGDMEN1KMT2A
SCHEMBL10369182 0.82 ALDH1A1 (0.55) ALDH1A1TSHRHPGDHSD17B10MEN1
SCHEMBL29032830 0.82 ALDH1A1 (0.55) ALDH1A1TSHRHPGDMEN1KMT2A
SCHEMBL3335582 0.82 ALDH1A1 (0.55) ALDH1A1TSHRHPGDHSD17B10ACHE
SCHEMBL28940902 0.82 ALDH1A1 (0.55) ALDH1A1TSHRHPGDHSD17B10ACHE
SCHEMBL28940904 0.82 ALDH1A1 (0.55) ALDH1A1TSHRHPGDHSD17B10ACHE
SCHEMBL3071789 0.81 ALDH1A1 (0.50) ALDH1A1TSHRHPGDHSD17B10ACHE
SCHEMBL8390018 0.81 ALDH1A1 (0.58) ALDH1A1TSHRHPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102399310-B Composition and method used for inhibiting premature polymerization GEN ELECTRIC 2013-07-24 CN disclosed
US-20120217444-A1 COMPOSITION AND METHOD FOR INHIBITING PREMATURE POLYMERIZATION GENERAL ELECTRIC COMPANY 2012-08-30 US disclosed
CN-102399310-A Composition and method used for inhibiting premature polymerization GEN ELECTRIC 2012-04-04 CN disclosed
WO-2012033800-A1 COMPOSITION AND METHOD FOR INHIBITING PREMATURE POLYMERIZATION GENERAL ELECTRIC COMPANY (US) 2012-03-15 WO disclosed
CN-1101365-C Substance mixture comprising a vinyl compound and a stabilizer BASF AG (DE) 2003-02-12 CN disclosed
EP-0944563-B1 SUBSTANCE MIXTURES CONTAINING STABILIZERS AND COMPOUNDS CONTAINING VINYL GROUPS BASF AG (DE) 2002-04-03 EP disclosed
US-6200460-B1 MIXTURE COMPRISING VINYL AROMATIC COMPOUND, ACTIVE AMOUNT OF MIXTURE WHICH INHIBITS THE PREMATURE POLYMERIZATION OF SAID COMPOUND COMPRISING NOXYL COMPOUND, IRON COMPOUND, OPTIONALLY NITRO COMPOUNDS AND COSTABILIZERS BASF AKTIENGESELLSCHAFT (DE) 2001-03-13 US disclosed
WO-2000069793-A1 MIXTURE OF SUBSTANCES, COMPRISING STABILISERS AND COMPOUNDS WHICH CONTAIN VINYL GROUPS BASF AKTIENGESELLSCHAFT (DE) 2000-11-23 WO disclosed
WO-1999060072-A1 SUBSTANCE MIXTURES WHICH COMPRISE COMPOUNDS CONTAINING VINYL GROUPS AND WHICH COMPRISE STABILIZERS BASF AKTIENGESELLSCHAFT (DE) 1999-11-25 WO disclosed
EP-0944563-A1 SUBSTANCE MIXTURES CONTAINING STABILIZERS AND COMPOUNDS CONTAINING VINYL GROUPS BASF AKTIENGESELLSCHAFT (DE) 1999-09-29 EP disclosed
CN-1227533-A Substance mixture comprising a vinyl compound and a stabilizer BASF AG (DE) 1999-09-01 CN disclosed
WO-1998025872-A1 SUBSTANCE MIXTURES CONTAINING STABILIZERS AND COMPOUNDS CONTAINING VINYL GROUPS BASF AKTIENGESELLSCHAFT (DE) 1998-06-18 WO disclosed