SCHEMBL7939611

SCHEMBL7939611

C=C(C)CCCC=C(C)C

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
KMT2A Q03164 3/20 0.44
ALOX15 P16050 3/20 0.41
MEN1 O00255 2/20 0.41
CYP3A4 P08684 2/20 0.41
SQLE Q14534 5/20 0.40
MAPT P10636 2/20 0.39
ALDH1A1 P00352 2/20 0.39
UGT1A1 P22309 1/20 0.39
KDM4E B2RXH2 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL1305497 0.84 KMT2A (0.41) TSHRKMT2AALOX15MEN1CYP3A4
SCHEMBL1305499 0.84 KMT2A (0.41) TSHRKMT2AALOX15MEN1CYP3A4
SCHEMBL1760707 0.83
SCHEMBL16033616 0.80 TSHR (0.46) TSHRKMT2AALOX15MEN1CYP3A4
SCHEMBL1486008 0.78 KMT2A (0.34) TSHRKMT2AALOX15MEN1CYP3A4
SCHEMBL5080645 0.78 TSHR (0.75) TSHRKMT2AALOX15MEN1CYP3A4
SCHEMBL9089465 0.78 KMT2A (0.48) TSHRKMT2AALOX15MEN1CYP3A4
SCHEMBL465977 0.77 TSHR (0.34) TSHRKMT2AALOX15MEN1CYP3A4
SCHEMBL465976 0.77 TSHR (0.34) TSHRKMT2AALOX15MEN1CYP3A4
SCHEMBL20104657 0.77 TSHR (0.48) TSHRKMT2AALOX15MEN1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101597201-B Method for isomerizing 2-methyl-1-butylene into 2-methyl-2-butylene SINOPEC SHANGHAI PETROCHEMICAL 2012-09-05 CN claimed
CN-102040450-A Method for isomerizing isoamylene CHINA PETROLEUM & CHEMICAL 2011-05-04 CN claimed
CN-102040451-A Method for isomerizing 2-methyl-1-butene CHINA PETROLEUM & CHEMICAL 2011-05-04 CN claimed
CN-101597201-A The 2-methyl-1-butene bisabolene isomer turns to the method for 2-methyl-2-butene SINOPEC SHANGHAI PETROCHEMICAL (CN) 2009-12-09 CN claimed
US-20200093181-A1 FLAVORANTS RAI STRATEGIC HOLDINGS, INC. 2020-03-26 US disclosed
CN-205844284-U For trapping the series connection cold solvent device of gaseous phase of main stream smoke of cigarette composition 中国烟草总公司郑州烟草研究院 2016-12-28 CN disclosed
CN-105343840-A Traditional Chinese medicine for treating pneumonia for traditional Chinese medicine internal medicine department FU JIANJUN 2016-02-24 CN disclosed
CN-104958700-A Traditional Chinese medicine for treating local induration of vascular access ZHANG XIUQIN 2015-10-07 CN disclosed
US-6281320-B1 POLYOLEFIN CATALYST UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION 2001-08-28 US disclosed
EP-0748823-A1 Catalyst composition and process for the production of olefinic polymers NIPPON OIL CO. LTD. (JP) 1996-12-18 EP disclosed
US-4619780-A Ether carbinols, process for preparing same, products produced according to said processes containing said ether carbinols, organoleptic uses thereof, ether carboxaldehydes and organoleptic uses thereof INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1986-10-28 US disclosed
EP-0104602-B1 ETHER-CONTAINING PERFUME COMPOSITIONS L. GIVAUDAN & CIE Société Anonyme (CH) 1986-09-10 EP disclosed
US-4515711-A ORGANOLEPTIC GIVAUDAN CORPORATION (US) 1985-05-07 US disclosed
EP-0104602-A2 Ether-containing perfume compositions L. GIVAUDAN & CIE Société Anonyme (CH) 1984-04-04 EP disclosed
US-4374277-A REACTING AN ALKENE WITH CARBON MONOXIDE AND HYDROGEN; OXO SYNTHESIS; DETERGENTS; SOFTENERS; COSMETICS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1983-02-15 US disclosed
US-4357247-A Aliphatic C11 branched chain aldehydes and alcohols, process for preparing same and uses thereof in augmenting or enhancing the aroma of perfumes, colognes and/or perfumed articles INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1982-11-02 US disclosed
US-4352743-A ANIONIC, CATIONIC, AND NONIONIC SURFACTANTS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1982-10-05 US disclosed
US-4304689-A Aliphatic C11 branched chain aldehydes and alcohols, process for preparing same and uses thereof in augmenting or enhancing the aroma of perfumes, colognes and/or perfumed articles INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1981-12-08 US disclosed