SCHEMBL399537

SCHEMBL399537

Cc1cccc(C)c1[OH+]c1c(C)cccc1C.Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.33
CYP1A2 P05177 1/20 0.31
CYP2A6 P11509 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
ALDH1A1 P00352 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
O-Xylene SCHEMBL30386408 0.79 TSHR (0.48) ACHECYP1A2CYP2A6CA1CA2
O-Xylene SCHEMBL30509215 0.79 TSHR (0.48) ACHECYP1A2CYP2A6CA1CA2
SCHEMBL399417 0.78 ACHE (0.37) ACHE
SCHEMBL28215053 0.78 ACHE (0.34) ACHECYP1A2CYP2A6CA1CA2
SCHEMBL1452264 0.78 ACHE (0.34) ACHECYP1A2CYP2A6CA1CA2
SCHEMBL30746773 0.78 CYP2A6 (0.37) ACHECYP1A2CYP2A6CA1CA2
SCHEMBL30468920 0.78 ACHE (0.34) ACHECYP1A2CYP2A6CA1CA2
SCHEMBL5600458 0.77 GABRA1 (0.38)
SCHEMBL218368 0.76 ACHE (0.33) ACHECYP1A2CYP2A6CA1CA2
SCHEMBL30468921 0.76 ACHE (0.33) ACHECYP1A2CYP2A6CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080153997-A1 Polymer production at supercritical conditions EXXONMOBIL RESEARCH AND ENGINEERING 2008-06-26 US claimed
US-20080033124-A1 Polymerization Process EXXONMOBIL CHEMICAL PATENTS INC. 2008-02-07 US claimed
EP-4624501-A1 ETHYLENE ALPHA-OLEFIN COPOLYMER AND METHOD FOR PREPARING SAME LOTTE CHEMICAL CORPORATION (KR) 2025-10-01 EP disclosed
EP-4624502-A1 ETHYLENE ALPHA-OLEFIN COPOLYMER, METHOD FOR PREPARING SAME, AND RESIN COMPOSITION AND MOLDED ARTICLE COMPRISING SAME LOTTE CHEMICAL CORPORATION (KR) 2025-10-01 EP disclosed
US-9963568-B2 Foaming agent and manufacturing method forming agent therefor, rubber composition, cross-linked foam and manufacturing method therefor, and rubber molded article MITSUI CHEMICALS, INC. (JP) 2018-05-08 US disclosed
US-9914820-B2 Lumps and composition MITSUI CHEMICALS, INC. (JP) 2018-03-13 US disclosed
US-20170298203-A1 FOAMING AGENT AND MANUFACTURING METHOD FORMING AGENT THEREFOR, RUBBER COMPOSITION, CROSS-LINKED FOAM AND MANUFACTURING METHOD THEREFOR, AND RUBBER MOLDED ARTICLE MITSUI CHEMICALS, INC. (JP) 2017-10-19 US disclosed
EP-2221338-B1 RUBBER COMPOSITION, CROSSLINKED OBJECT AND FOAMED OBJECT MADE FROM THE COMPOSITION, MOLDED RUBBER MADE FROM THE COMPOSITION, AND USES OF THESE MITSUI CHEMICALS INC (JP) 2017-09-13 EP disclosed
US-9579640-B2 Amidinate and guanidinate complexes, their use as chain transfer polymerization catalysts and long chain alcohols obtained by such process SASOL PERFORMANCE CHEMICALS GMBH (DE) 2017-02-28 US disclosed
EP-2669323-B1 FOAMING AGENT AND PRODUCTION PROCESS/FORMING AGENT FOR SAME, RUBBER COMPOSITION, CROSSLINKED FOAM AND PRODUCTION PROCESS FOR SAME, AND MOULDED RUBBER PRODUCT MITSUI CHEMICALS INC (JP) 2016-05-25 EP disclosed
US-20160053080-A1 LUMPS AND COMPOSITION MITSU CHEMICALS, INC. (JP) 2016-02-25 US disclosed
US-6420507-B1 COORDINATION CATALYSTS FOR POLYMERS THE DOW CHEMICAL COMPANY 2002-07-16 US disclosed
US-6335410-B1 Ultra-low molecular weight ethylene polymers THE DOW CHEMICAL COMPANY 2002-01-01 US disclosed
US-6319979-B1 HAVING A DENSITY OF 0.850-0.895 G/CM.3 ; TACKIFYING RESIN; AND UP TO 40 WEIGHT PERCENT OF AT LEAST ONE WAX, VISCOSITY OF LESS THAN ABOUT 5000 CPS (50 GRAMS/(CM.SECOND)) AT 150 DEGREES C. THE DOW CHEMICAL COMPANY 2001-11-20 US disclosed
EP-0876407-A1 IMPROVED OLEFIN ADDITION POLYMERIZATION CATALYST COMPOSITION THE DOW CHEMICAL COMPANY (US) 1998-11-11 EP disclosed
WO-1997027228-A1 IMPROVED OLEFIN ADDITION POLYMERIZATION CATALYST COMPOSITION THE DOW CHEMICAL COMPANY (US) 1997-07-31 WO disclosed
EP-0784639-A1 SYNDIOTACTIC PROCHIRAL OLEFIN POLYMERIZATION PROCESS THE DOW CHEMICAL COMPANY (US) 1997-07-23 EP disclosed
WO-1996039451-A1 SEGMENTED MULTICOMPONENT INTERPOLYMERS OF MONOVINYLIDENE AROMATIC MONOMERS THE DOW CHEMICAL COMPANY (US) 1996-12-12 WO disclosed
WO-1996010592-A1 SYNDIOTACTIC PROCHIRAL OLEFIN POLYMERIZATION PROCESS THE DOW CHEMICAL COMPANY (US) 1996-04-11 WO disclosed
US-5495036-A Metal (III) complexes containing conjugated, non-aromatic anionic II-bound groups and addition polymerization catalysts therefrom THE DOW CHEMICAL COMPANY (US) 1996-02-27 US disclosed