SCHEMBL909903

SCHEMBL909903

C1CCC(OOC2CCCCC2)CC1.O=C(O)OC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.39
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CYP2C19 P33261 1/20 0.34
NAAA Q02083 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
FABP7 O15540 1/20 0.33
FABP5 Q01469 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
HTT P42858 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
Bicarbonate SCHEMBL366336 0.87 EPHX1 (0.43) EPHX1CES2CES1CA1CA2
Bicarbonate SCHEMBL6566447 0.87 EPHX1 (0.43) EPHX1CES2CES1CA1CA2
Bicarbonate SCHEMBL28775658 0.87 EPHX1 (0.43) EPHX1CES2CES1CA1CA2
SCHEMBL10738231 0.82 EPHX1 (0.33) EPHX1NAAAHTTNPC1RAB9A
SCHEMBL6507671 0.80 EPHX1 (0.39) EPHX1CES2CES1CA1CA2
Biphenyl SCHEMBL909901 0.79 ALDH1A1 (0.44) EPHX1CES2CES1HTTNPC1
SCHEMBL27447882 0.79 EPHX1 (0.32) EPHX1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL29022117 0.78 EPHX1 (0.34) EPHX1CES2CES1CA1CA2
SCHEMBL36848 0.78 CA1 (0.41) EPHX1CES2CES1CA1CA2
SCHEMBL28573115 0.78 CA1 (0.41) EPHX1CES2CES1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109762117-A The synthetic method of polyether polyol 山东蓝星东大有限公司 2019-05-17 CN claimed
CN-108634477-A A kind of manufacturing method of internal height-increasing shoe 广州市鸿峥实业有限公司 2018-10-12 CN claimed
EP-3652245-B1 ADDITIVE MIXTURES FOR PLASTICS, LASER-MARKABLE POLYMER COMPOSITIONS CONTAINING SAME, AND USE THEREOF CLARIANT INT LTD (CH) 2024-04-24 EP disclosed
US-11945913-B2 Thermosetting polyimide resin and manufacturing method thereof, composition, prepolymer, film, adhesive, and use thereof CHIN YEE CHEMICAL INDUSTRIES CO., LTD. (TW) 2024-04-02 US disclosed
EP-3652241-B1 ADDITIVE MIXTURES FOR PLASTICS, LASER-MARKABLE POLYMER COMPOSITIONS CONTAINING SAME AND USE THEREOF CLARIANT INT LTD (CH) 2023-04-19 EP disclosed
CN-115894804-A Copolymer containing PVDF unit, preparation method thereof, humidity-sensitive film and application of humidity-sensitive film 广州奥松电子股份有限公司 2023-04-04 CN disclosed
CN-115286767-A Antibacterial fluorine modified epoxy vinyl ester resin, preparation method thereof and multi-mechanism synergetic universal anticorrosive coating 海洋化工研究院有限公司 2022-11-04 CN disclosed
WO-2020186482-A1 POLYMER AND PREPARATION METHOD AND APPLICATION THEREOF 深圳大学 2020-09-24 WO disclosed
CN-107556433-B Dynamic polymer elastomer with hybrid cross-linked network and application thereof 翁秋梅 2020-07-31 CN disclosed
EP-3679094-A1 FLAME RETARDANT COMBINATIONS FOR POLYMER COMPOSITIONS AND USE THEREOF Clariant Plastics & Coatings Ltd (CH) 2020-07-15 EP disclosed
EP-3679095-A1 SYNERGISTIC FLAME RETARDANT COMBINATIONS FOR POLYMER COMPOSITIONS AND USE THEREOF Clariant Plastics & Coatings Ltd (CH) 2020-07-15 EP disclosed
EP-2343344-A1 Encapsulation of pigments with polymer latex prepared by mini-emulsion polymerization Akzo Nobel Coatings International B.V. (NL) 2011-07-13 EP disclosed
US-20110098372-A1 FOAMABLE POLYAMIDES BASF SE (DE) 2011-04-28 US disclosed
WO-2011032905-A1 ENCAPSULATION OF PIGMENTS WITH POLYMER LATEX PREPARED BY MINI-EMULSION POLYMERIZATION AKZO NOBEL COATINGS INTERNATIONAL B.V. (NL) 2011-03-24 WO disclosed
US-20110015285-A1 FOAMABLE COPOLYMERS BASED ON RENEWABLE RAW MATERIALS BASF SE (DE) 2011-01-20 US disclosed
US-20080194715-A1 Use of Copolymers Comprising Polyisobutene in Cosmetic Compositions BASF AKTIENGESELLSCHAFT (DE) 2008-08-14 US disclosed
US-20070148460-A1 Pigments sheathed with polyaddition products, method for their produciton and use thereof BASF AKTIENGESELLSCHAFT (DE) 2007-06-28 US disclosed
US-20060173149-A1 Method for producing polymers having isotactic or syndiotactic regions BASF AKTIENGESELLSCHAFT (DE) 2006-08-03 US disclosed
US-20060074002-A1 Partially esterified copolymers of monoethylenically unsaturated dicarboxylic anthydrides, vinylaromatic compounds and other monoethylenically unsaturated monomers containing heteroatoms BASF AKTIENGESELLSCHAFT (DE) 2006-04-06 US disclosed
US-4163033-A GRAFT POLYMERIZATION, FREE RADICAL CATALYSTS, IMPROVED IMPACT STRENGHT HOOKER CHEMICALS & PLASTICS CORP. (US) 1979-07-31 US disclosed