SCHEMBL112207

SCHEMBL112207

CC(C)c1c(N=C=O)ccc(N=C=O)c1C(C)C

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
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
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
TSHR P16473 1/20 0.32
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
SCHEMBL8751827 0.90 CYP3A4 (0.39) CYP3A4TDP1ALDH1A1HPGDTRPA1
SCHEMBL580427 0.87 CYP3A4 (0.37) CYP3A4TDP1ALDH1A1HPGDTRPA1
SCHEMBL11785534 0.86 CYP3A4 (0.59) CYP3A4TDP1ALDH1A1HPGDTRPA1
SCHEMBL4331650 0.84 CYP3A4 (0.47) CYP3A4TDP1ALDH1A1HPGDTRPA1
SCHEMBL159676 0.82 CYP3A4 (0.37) CYP3A4TDP1ALDH1A1HPGDTRPA1
SCHEMBL28151572 0.80 CYP3A4 (0.57) CYP3A4TDP1ALDH1A1HPGDTRPA1
SCHEMBL471856 0.80 CYP3A4 (0.52) CYP3A4TDP1ALDH1A1HPGDTRPA1
SCHEMBL112208 0.80 CYP3A4 (0.38) CYP3A4TDP1ALDH1A1HPGDTRPA1
SCHEMBL2140429 0.76 ALDH1A1 (0.38) CYP3A4TDP1ALDH1A1HPGDTRPA1
SCHEMBL580428 0.75 CYP3A4 (0.36) CYP3A4TRPA1TSHR

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 946 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
CN-118871286-A Post-catalysis of rapid room temperature polymerizations 依视路国际公司 2024-10-29 CN 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-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