SCHEMBL2944729

SCHEMBL2944729

Cc1ccccc1C(C)C.N=C=O.N=C=O.N=C=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.45
GABRA1 P14867 3/20 0.41
GABRB2 P47870 2/20 0.41
ACP3 P15309 1/20 0.39
TSHR P16473 3/20 0.38
FAAH O00519 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
LMNA P02545 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
GABRB1 P18505 1/20 0.38
PTGS1 P23219 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2C P28335 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38

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
SCHEMBL28151573 1.00 ESR1 (0.45) ESR1GABRA1GABRB2ACP3TSHR
SCHEMBL1844311 0.86 GABRA1 (0.48) GABRA1GABRB2TSHRFAAHGABRG2
SCHEMBL8313799 0.86 GABRA1 (0.48) GABRA1GABRB2TSHRFAAHGABRG2
SCHEMBL34433460 0.86 GABRA1 (0.48) GABRA1GABRB2TSHRFAAHGABRG2
SCHEMBL28827429 0.86 GABRA1 (0.48) GABRA1GABRB2TSHRFAAHGABRG2
SCHEMBL29392590 0.86 ESR1 (0.56) ESR1GABRA1GABRB2ACP3TSHR
SCHEMBL5493731 0.86 ESR1 (0.56) ESR1GABRA1GABRB2ACP3TSHR
SCHEMBL40597 0.86 ESR1 (0.56) ESR1GABRA1GABRB2ACP3TSHR
SCHEMBL6235141 0.84 ESR1 (0.46) ESR1ACP3TSHRLMNACA1
Formaldehyde SCHEMBL27848042 0.84 ESR1 (0.50) ESR1GABRA1GABRB2ACP3TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023186966-A1 LATE-STAGE CATALYSIS OF FAST ROOM-TEMPERATURE POLYMERIZATIONS ESSILOR INTERNATIONAL (FR) 2023-10-05 WO claimed
EP-4253019-A1 LATE-STAGE CATALYSIS OF FAST ROOM-TEMPERATURE POLYMERIZATIONS Essilor International (FR) 2023-10-04 EP claimed
JP-4512090-B2 2010-07-28 JP claimed
US-7622526-B2 Thermoset material based on antiplasticizing polythiourethane and ophthalmic lens comprising an antiplasticized thermoset material ESSILOR INTERNATIONAL (FR) 2009-11-24 US claimed
EP-1670852-B1 THERMOSETTING MATERIAL BASED ON ANTIPLASTICIZED POLYTHIOURETHANE, AND OPHTHALMIC LENS COMPRISING AN ANTIPLASTICIZED THERMOSETTING MATERIAL ESSILOR INT (FR) 2008-12-10 EP claimed
EP-1608704-B1 THIOPHOSPHINE COMPOUNDS AND METHOD OF MAKING POLYMERISABLE COMPOSITIONS CONTAINING THEM AND THEIR USE FOR MAKING OPHTALMIC LENSES ESSILOR INT (FR) 2008-03-19 EP claimed
JP-2007507574-A 2007-03-29 JP claimed
US-20060270771-A1 Thermoset material based on antiplasticizing polythiourethane and ophthalmic lens comprising an antiplasticized thermoset material ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2006-11-30 US claimed
EP-1448650-B1 METHOD FOR MAKING TRANSPARENT POLYTHIOURETHANE SUBSTRATES IN PARTICULAR OPTICAL SUBSTRATES ESSILOR INT (FR) 2006-11-08 EP claimed
US-7129321-B2 Thiophosphine compounds and methods of making polymerizable compositions containing them and their use for making ophthalmic lenses ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2006-10-31 US claimed
EP-1670852-A1 THERMOSETTING MATERIAL BASED ON ANTIPLASTICIZED POLYTHIOURETHANE, AND OPHTHALMIC LENS COMPRISING AN ANTIPLASTICIZED THERMOSETTING MATERIAL ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2006-06-21 EP claimed
US-20060115682-A1 Hole or electron injection polymers and prepolymers, hole or electron transport polymers and prepolymers, method for forming the same, and their application NATIONAL TAIWAN UNIVERSITY (TW) 2006-06-01 US claimed
EP-1608704-A2 THIOPHOSPHINE COMPOUNDS AND METHOD OF MAKING POLYMERISABLE COMPOSITIONS CONTAINING THEM AND THEIR USE FOR MAKING OPHTALMIC LENSES ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2005-12-28 EP claimed
US-20050107579-A1 Thiophosphine compounds and methods of making polymerizable compositions containing them and their use for making ophthalmic lenses ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2005-05-19 US claimed
US-6887401-B2 Method for making transparent polythiourethane substrates in particular optical substrates ESSILOR INTERNATIONAL COMPAGNIE GENERAL D'OPTIQUE (FR) 2005-05-03 US claimed
WO-2005033190-A1 THERMOSETTING MATERIAL BASED ON ANTIPLASTICIZED POLYTHIOURETHANE, AND OPHTHALMIC LENS COMPRISING AN ANTIPLASTICIZED THERMOSETTING MATERIAL ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2005-04-14 WO claimed
WO-2004085447-A2 THIOPHOSPHINE COMPOUNDS AND METHOD OF MAKING POLYMERISABLE COMPOSITIONS CONTAINING THEM AND THEIR USE FOR MAKING OPHTALMIC LENSES ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2004-10-07 WO claimed
EP-1448650-A1 METHOD FOR MAKING TRANSPARENT POLYTHIOURETHANE SUBSTRATES IN PARTICULAR OPTICAL SUBSTRATES ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2004-08-25 EP claimed
US-20030125410-A1 Method for making transparent polythiourethane substrates in particular optical substrates ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE 2003-07-03 US claimed
WO-2003040205-A1 METHOD FOR MAKING TRANSPARENT POLYTHIOURETHANE SUBSTRATES IN PARTICULAR OPTICAL SUBSTRATES ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2003-05-15 WO claimed