SCHEMBL112107

SCHEMBL112107

CCc1c(N=C=O)ccc(N=C=O)c1CC

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.48
GABRB2 P47870 2/20 0.48
CYP3A4 P08684 4/20 0.46
TDP1 Q9NUW8 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
TRPA1 O75762 1/20 0.41
TSHR P16473 1/20 0.37
MAPK1 P28482 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
SCHEMBL28759033 0.90 CYP3A4 (0.47) GABRA1GABRB2CYP3A4TDP1ALDH1A1
SCHEMBL17779747 0.89 GABRA1 (0.44) GABRA1GABRB2CYP3A4TDP1ALDH1A1
SCHEMBL3125391 0.88 GABRA1 (0.44) GABRA1GABRB2CYP3A4TDP1ALDH1A1
SCHEMBL10599839 0.84 GABRA1 (0.58) GABRA1GABRB2CYP3A4TDP1ALDH1A1
SCHEMBL28639846 0.82 GABRA1 (0.40) GABRA1GABRB2CYP3A4TDP1ALDH1A1
SCHEMBL2347924 0.81 GABRA1 (0.60) GABRA1GABRB2CYP3A4TDP1ALDH1A1
SCHEMBL1811796 0.81 CYP3A4 (0.41) GABRA1GABRB2CYP3A4TDP1ALDH1A1
SCHEMBL30950302 0.80 GABRA1 (0.53) GABRA1GABRB2CYP3A4TDP1ALDH1A1
SCHEMBL112108 0.80 GABRA1 (0.53) GABRA1GABRB2CYP3A4TDP1ALDH1A1
SCHEMBL4705523 0.80 CYP3A4 (0.57) GABRA1GABRB2CYP3A4TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12420503-B2 Late-stage catalysis of fast room-temperature polymerizations ESSILOR INTERNATIONAL (FR) 2025-09-23 US claimed
US-20250108574-A1 LATE-STAGE CATALYSIS OF FAST ROOM-TEMPERATURE POLYMERIZATIONS ESSILOR INTERNATIONAL (FR) 2025-04-03 US claimed
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
EP-3539998-A1 METHOD FOR MANUFACTURING RESIN FOR URETHANE-BASED OPTICAL MATERIAL, RESIN COMPOSITION FOR SAME, AND OPTICAL MATERIAL MANUFACTURED THEREBY Koc Solution Co.,LTD. (KR) 2019-09-18 EP claimed
EP-2682430-B2 METHOD FOR MANUFACTURING RESIN FOR THIOURETHANE-BASED OPTICAL MATERIAL USING UNIVERSAL POLYISOCYANATE COMPOUND, RESIN COMPOSITION, AND OPTICAL MATERIAL MANUFACTURED THEREBY KOC SOLUTION CO LTD (KR) 2019-07-17 EP claimed
US-10067266-B2 Method of producing resin for thiourethane-based optical material using general-purpose polyisocyanate compound, resin composition for thiourethane-based optical material and thiourethane-based optical material including resin produced by the method KOC SOLUTION CO., LTD. (KR) 2018-09-04 US claimed
EP-2682430-B1 METHOD FOR MANUFACTURING RESIN FOR THIOURETHANE-BASED OPTICAL MATERIAL USING UNIVERSAL POLYISOCYANATE COMPOUND, RESIN COMPOSITION, AND OPTICAL MATERIAL MANUFACTURED THEREBY KOC SOLUTION CO LTD (KR) 2015-10-21 EP claimed
US-20140039145-A1 METHOD OF PRODUCING RESIN FOR THIOURETHANE-BASED OPTICAL MATERIAL USING GENERAL-PURPOSE POLYISOCYANATE COMPOUND, RESIN COMPOSITION FOR THIOURETHANE-BASED OPTICAL MATERIAL AND THIOURETHANE-BASED OPTICAL MATERIAL INCLUDING RESIN PRODUCED BY THE METHOD KOC SOLUTION CO LTD (KR) 2014-02-06 US claimed
EP-2682430-A2 METHOD FOR MANUFACTURING RESIN FOR THIOURETHANE-BASED OPTICAL MATERIAL USING UNIVERSAL POLYISOCYANATE COMPOUND, RESIN COMPOSITION, AND OPTICAL MATERIAL MANUFACTURED THEREBY Koc Solution Co.,LTD. (KR) 2014-01-08 EP 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
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
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-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
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