SCHEMBL2536971

SCHEMBL2536971

C=CC(=O)OCCCC.C=CC=CC=CC#N

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.65
HPGD P15428 1/20 0.65
ALDH1A1 P00352 4/20 0.47
CYP3A4 P08684 1/20 0.47
ATM Q13315 1/20 0.46
HCAR2 Q8TDS4 3/20 0.41
TP53 P04637 2/20 0.40
HIF1A Q16665 2/20 0.40
HSD17B10 Q99714 1/20 0.40
THRB P10828 3/20 0.38
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ZDHHC20 Q5W0Z9 2/20 0.34
APP P05067 1/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33

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
Acrylonitrile SCHEMBL2536972 0.84 TSHR (0.73) TSHRHPGDALDH1A1CYP3A4ATM
Acrylonitrile SCHEMBL2146545 0.84 TSHR (0.79) TSHRHPGDALDH1A1CYP3A4ATM
Acrylonitrile SCHEMBL5833833 0.84 TSHR (0.79) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL27608864 0.84 TSHR (0.85) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL8056534 0.83 TSHR (0.61) TSHRHPGDALDH1A1CYP3A4TP53
Water SCHEMBL28083611 0.82 TSHR (0.96) TSHRHPGDALDH1A1CYP3A4ATM
Acrylonitrile SCHEMBL28102809 0.81 TSHR (0.73) TSHRHPGDALDH1A1CYP3A4ATM
Acrylonitrile SCHEMBL22158684 0.81 TSHR (0.73) TSHRHPGDALDH1A1CYP3A4ATM
Acrylonitrile SCHEMBL27953278 0.81 TSHR (0.73) TSHRHPGDALDH1A1CYP3A4ATM
Butadiene SCHEMBL34686 0.81 TSHR (0.92) TSHRHPGDALDH1A1CYP3A4ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1262617-C Method for controlling elastomer melt flow by ultraviolet irradiation LG WIRE CO LTD (KR) 2006-07-05 CN claimed
CN-1589302-A Method for controlling elastomer melt flow using ultraviolet radiation LG WIRE CO LTD (KR) 2005-03-02 CN claimed
US-5681875-A MOLDING MATERIALS; IMPACT STRENGTH GENERAL ELECTRIC COMPANY (US) 1997-10-28 US claimed
US-5162439-A Adhesive for printed circuit boards based on epoxy resins, hydrogenated polymer rubbers and curing agents NIPPON ZEON CO., LTD. (JP) 1992-11-10 US claimed
WO-2024127878-A1 SIZING AGENT FOR FIBERS AND USE THEREOF 松本油脂製薬株式会社 2024-06-20 WO disclosed
CN-110139877-B Method for producing hydrogenated conjugated diene polymer latex 日本瑞翁株式会社 2021-07-16 CN disclosed
CN-110139877-A METHOD FOR PRODUCING HYDROGENATED CONJUGATED DIENE POLYMER LATEX 日本瑞翁株式会社 2019-08-16 CN disclosed
US-8044147-B2 Nitrile group-containing copolymer rubber and a vulcanizable nitrile group-containing copolymer rubber composition ZEON CORPORATION (JP) 2011-10-25 US disclosed
EP-1852447-B1 NITRILE COPOLYMER RUBBER AND VULCANIZABLE NITRILE COPOLYMER RUBBER COMPOSITION ZEON CORP (JP) 2009-12-23 EP disclosed
US-20090124741-A1 Nitrile Group-Containing Copolymer Rubber and a Vulcanizable Nitrile Group-Containing Copolymer Rubber Composition ZEON CORPORATION (JP) 2009-05-14 US disclosed
EP-1852447-A1 NITRILE COPOLYMER RUBBER AND VULCANIZABLE NITRILE COPOLYMER RUBBER COMPOSITION ZEON CORPORATION (JP) 2007-11-07 EP disclosed
CN-1262617-C Method for controlling elastomer melt flow by ultraviolet irradiation LG WIRE CO LTD (KR) 2006-07-05 CN disclosed
CN-1589302-A Method for controlling elastomer melt flow using ultraviolet radiation LG WIRE CO LTD (KR) 2005-03-02 CN disclosed
US-5766703-A EPDM TERPOLYMER AND HYDROGENATED ACRYLONITILE-BUTADIENE COPOLYMER TOYODA GOSEI CO., LTD. (JP) 1998-06-16 US disclosed
US-5362810-A Toughness, weathering BAYER AKTIENGESELLSCHAFT 1994-11-08 US disclosed
US-5162439-A Adhesive for printed circuit boards based on epoxy resins, hydrogenated polymer rubbers and curing agents NIPPON ZEON CO., LTD. (JP) 1992-11-10 US disclosed
US-5162438-A Dielectrics; heat and peeling resistance NIPPON ZEON CO., LTD. (JP) 1992-11-10 US disclosed
US-4910267-A Sulfur vulcanized copolymer of an unsaturated nitrile, conjugated diene and an unsaturated carboxylic group NIPPON ZEON CO., LTD. (JP) 1990-03-20 US disclosed
US-4350796-A Oil-resistant rubber composition NIPPON ZEON CO. LTD. (JP) 1982-09-21 US disclosed