SCHEMBL57485

SCHEMBL57485

Cc1cccc(C)c1C.N=C=O.N=C=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.46
ATM Q13315 2/20 0.46
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
TSHR P16473 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP1A2 P05177 2/20 0.41
CYP2A6 P11509 1/20 0.41
CYP3A4 P08684 2/20 0.41
ACHE P22303 1/20 0.40
ALDH1A1 P00352 3/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
MAPT P10636 3/20 0.39
RAPGEF4 Q8WZA2 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 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
SCHEMBL29773079 1.00 TRPA1 (0.46) TRPA1ATMKEAP1NFE2L2TSHR
SCHEMBL112222 1.00 TRPA1 (0.46) TRPA1ATMKEAP1NFE2L2TSHR
Benzene SCHEMBL28983347 0.97 TRPA1 (0.44) TRPA1ATMKEAP1NFE2L2TSHR
Carbimide SCHEMBL28669493 0.88 TRPA1 (0.50) TRPA1ATMKEAP1NFE2L2TSHR
SCHEMBL4936865 0.84 CYP3A4 (0.54) TRPA1ATMKEAP1NFE2L2TSHR
SCHEMBL2009347 0.84 TRPA1 (0.74) TRPA1ATMTSHRSMN1; SMN2CYP1A2
SCHEMBL11900900 0.84 ATM (0.38) TRPA1ATMKEAP1NFE2L2TSHR
Isothiocyanate SCHEMBL330985 0.83 TRPA1 (0.46) TRPA1ATMKEAP1NFE2L2TSHR
Hexamethylbenzene SCHEMBL28405817 0.83 TSHR (0.56) TRPA1ATMTSHRCYP1A2CYP2A6
SCHEMBL6032962 0.83 CYP2A6 (0.41) TRPA1ATMTSHRCYP1A2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240294800-A1 NOVEL URETHANE ACRYLATE COMPOSITION STRATASYS, INC. (US) 2024-09-05 US claimed
EP-4363223-A1 NOVEL URETHANE ACRYLATE COMPOSITION Stratasys, Inc. (US) 2024-05-08 EP claimed
CN-117866399-A Completely biodegradable PLA/PPC composite material and preparation method thereof 沈阳化工大学 2024-04-12 CN claimed
US-11891469-B2 Urethane acrylate composition STRATASYS, INC. (US) 2024-02-06 US claimed
CN-116855046-A PLA/PPC-based biodegradable material and preparation method thereof 沈阳化工大学 2023-10-10 CN claimed
WO-2023278202-A1 NOVEL URETHANE ACRYLATE COMPOSITION COVESTRO LLC (US) 2023-01-05 WO claimed
US-20220411560-A1 NOVEL URETHANE ACRYLATE COMPOSITION STRATASYS INC. 2022-12-29 US claimed
WO-2022164497-A1 POLYURETHANE-BASED FOAMS AVIRO LLC (US) 2022-08-04 WO claimed
US-11179663-B1 Polyurethane-based materials AVIRO LLC (US) 2021-11-23 US claimed
CN-111154211-B Photocuring composition for 3D printing and photocuring part 诺思贝瑞新材料科技(苏州)有限公司 2021-11-19 CN claimed
US-6486261-B1 Thin-layer-covered golf ball with improved velocity ACUSHNET COMPANY 2002-11-26 US claimed
US-20020006837-A1 Wound golf ball having cast polyurethane cover ACUSHNET COMPANY 2002-01-17 US claimed
US-6300457-B1 Polyester/polyurethane vinyl dioxolane based coating compositions FOSTER MILLER, INC. 2001-10-09 US claimed
EP-1056703-A4 COLORANT HAVING ISOCYANATE SUBSTITUENT MILLIKEN RES CORP (US) 2001-06-20 EP claimed
EP-1056703-A1 COLORANT HAVING ISOCYANATE SUBSTITUENT MILLIKEN RESEARCH CORPORATION (US) 2000-12-06 EP claimed
WO-1999042428-A1 COLORANT HAVING ISOCYANATE SUBSTITUENT MILLIKEN RESEARCH CORPORATION (US) 1999-08-26 WO claimed
US-5919846-A COLORFASTNESS; WATERPROOFING MILLIKEN RESEARCH CORPORATION (US) 1999-07-06 US claimed
US-5843576-A Floor covering with coating composition ARMSTRONG WORLD INDUSTRIES, INC. (US) 1998-12-01 US claimed
US-5719227-A WEAR RESISTANT ACRYLATED POLYURETHANE ARMSTRONG WORLD INDUSTRIES, INC. (US) 1998-02-17 US claimed
EP-0783008-A2 Coating composition and floor covering including the composition Armstrong World Industries, Inc. (US) 1997-07-09 EP claimed