SCHEMBL3125891

SCHEMBL3125891

C=CCCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
TSHR P16473 1/20 0.56
HPGD P15428 1/20 0.51
HTT P42858 2/20 0.44
SIGMAR1 Q99720 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HSD17B10 Q99714 1/20 0.42
ACHE P22303 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
RECQL P46063 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH3A1 P30838 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
SCHEMBL1135905 0.83 ALDH1A1 (0.58) ALDH1A1TSHRHPGDHTTL3MBTL1
SCHEMBL876143 0.83 ALDH1A1 (0.58) ALDH1A1TSHRHPGDHTTSIGMAR1
SCHEMBL30367918 0.83 ALDH1A1 (0.58) ALDH1A1TSHRHPGDHTTL3MBTL1
SCHEMBL9112792 0.82 ALDH1A1 (0.53) ALDH1A1TSHRHPGDHTTSIGMAR1
SCHEMBL9112784 0.82 ALDH1A1 (0.53) ALDH1A1TSHRHPGDHTTSIGMAR1
SCHEMBL3202573 0.82 ALDH1A1 (0.72) ALDH1A1TSHRHPGDHTTSIGMAR1
SCHEMBL2621456 0.82 ALDH1A1 (0.50) ALDH1A1TSHRHPGDHTTSIGMAR1
Bromide SCHEMBL28506426 0.81 ALDH1A1 (0.56) ALDH1A1TSHRHPGDHTTL3MBTL1
SCHEMBL2373020 0.81 ALDH1A1 (0.56) ALDH1A1TSHRHPGDHTTSIGMAR1
SCHEMBL6158453 0.81 ALDH1A1 (0.56) ALDH1A1TSHRHPGDHTTSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120217444-A1 COMPOSITION AND METHOD FOR INHIBITING PREMATURE POLYMERIZATION GENERAL ELECTRIC COMPANY 2012-08-30 US disclosed
WO-2012033800-A1 COMPOSITION AND METHOD FOR INHIBITING PREMATURE POLYMERIZATION GENERAL ELECTRIC COMPANY (US) 2012-03-15 WO disclosed
EP-0906257-B2 MIXTURES CONTAINING MONOMERS AND STABILIZERS BASF SE (DE) 2010-04-07 EP disclosed
CN-1082499-C Mixtures containing monomers and stabilizers BASF AG (DE) 2002-04-10 CN disclosed
EP-0944563-B1 SUBSTANCE MIXTURES CONTAINING STABILIZERS AND COMPOUNDS CONTAINING VINYL GROUPS BASF AG (DE) 2002-04-03 EP disclosed
EP-0906257-B1 MIXTURES CONTAINING MONOMERS AND STABILIZERS BASF AG (DE) 2001-07-25 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
US-6143205-A A MIXTRUE COMPRISES A VINYL-CONTAINING MONOMERS, AND A MIXTURE OF PREMATURE POLYMERIZATION INHIBITOR OF MONOMERS DURING PURIFICATION OR DISTILLATION COMPRISING A N-OXYL COMPOUND OF SECONDARY AMINE AND A NITRO COMPOUND BASF AKTIENGESELLSCHAFT (DE) 2000-11-07 US 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
EP-0906257-A1 MIXTURES CONTAINING MONOMERS AND STABILIZERS BASF AKTIENGESELLSCHAFT (DE) 1999-04-07 EP disclosed
CN-1211968-A Mixtures containing monomers and stabilizers BASF AG (DE) 1999-03-24 CN disclosed
WO-1998025872-A1 SUBSTANCE MIXTURES CONTAINING STABILIZERS AND COMPOUNDS CONTAINING VINYL GROUPS BASF AKTIENGESELLSCHAFT (DE) 1998-06-18 WO disclosed
WO-1997046504-A1 MIXTURES CONTAINING MONOMERS AND STABILIZERS BASF AKTIENGESELLSCHAFT (DE) 1997-12-11 WO disclosed
US-5486533-A DIAZOLE OR TRIAZOLES WITH SILFIDES UNIROYAL CHEMICAL COMPANY, INC. (US) 1996-01-23 US disclosed
EP-0663904-A1 FUNGICIDAL SUBSTITUTED AZOLE DERIVATIVES UNIROYAL CHEMICAL COMPANY, Inc. (US) 1995-07-26 EP disclosed
WO-1994008978-A1 FUNGICIDAL SUBSTITUTED AZOLE DERIVATIVES UNIROYAL CHEMICAL COMPANY, INC. (US) 1994-04-28 WO disclosed