SCHEMBL384000

SCHEMBL384000

Cc1ccc([NH3+])c(C)c1C.F[B-](F)(F)F

nearest known ligand 0.30

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.30
CYP2A6 P11509 1/20 0.30
TSHR P16473 1/20 0.30
TDP2 O95551 1/20 0.30
NSD2 O96028 1/20 0.30
HSP90AA1 P07900 1/20 0.30
PAX8 Q06710 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
SCHEMBL577778 0.79
SCHEMBL28411487 0.78 TRPA1 (0.41) CYP1A2CYP2A6TSHR
SCHEMBL577153 0.76 CYP1A2 (0.33) CYP1A2CYP2A6TSHR
SCHEMBL5494672 0.71 TSHR (0.45) CYP1A2CYP2A6TSHRTDP2NSD2
SCHEMBL37955 0.71 TSHR (0.45) CYP1A2CYP2A6TSHRTDP2NSD2
SCHEMBL29352563 0.71 TSHR (0.45) CYP1A2CYP2A6TSHRTDP2NSD2
SCHEMBL383672 0.70 CYP1A2 (0.30) CYP1A2CYP2A6TSHRTDP2NSD2
SCHEMBL5181689 0.67 TSHR (0.43) CYP1A2CYP2A6TSHRTDP2NSD2
Iodide SCHEMBL29115031 0.67 TSHR (0.43) CYP1A2CYP2A6TSHRTDP2NSD2
SCHEMBL10346182 0.67 TSHR (0.43) CYP1A2CYP2A6TSHRTDP2NSD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9290656-B2 Polymerizable composition for polythiourethane optical material MITSUI CHEMICALS, INC. (JP) 2016-03-22 US disclosed
EP-2718448-A2 METHODS FOR TREATING LIGNOCELLULOSIC MATERIAL Syngenta Participations AG (CH) 2014-04-16 EP disclosed
EP-2341091-B1 POLYMERIZABLE COMPOSITION FOR OPTICAL MATERIAL, OPTICAL MATERIAL, AND METHOD FOR PREPARING THE OPTICAL MATERIAL MITSUI CHEMICALS INC (JP) 2013-12-04 EP disclosed
EP-1988109-B1 POLYMERIZABLE COMPOSITION FOR POLYTHIOURETHANE OPTICAL MATERIAL MITSUI CHEMICALS INC (JP) 2013-05-29 EP disclosed
US-8434866-B2 Polymerizable composition for optical material, optical material, and method for preparing the optical material MITSUI CHEMICALS, INC. (JP) 2013-05-07 US disclosed
WO-2012168410-A2 METHODS FOR TREATING LIGNOCELLULOSIC MATERIAL SYNGENTA PARTICIPATIONS AG (CH) 2012-12-13 WO disclosed
EP-2439208-A1 Method of preparing organometallic compounds Rohm and Haas Company (US) 2012-04-11 EP disclosed
US-8101787-B2 Method of preparing organometallic compounds ROHM AND HAAS COMPANY (US) 2012-01-24 US disclosed
EP-2359923-A1 Method of preparing organometallic compounds Rohm and Haas Company (US) 2011-08-24 EP disclosed
EP-2359922-A1 Method of preparing organometallic compounds Rohm and Haas Company (US) 2011-08-24 EP disclosed
US-20100185003-A1 Method of Preparing Organometallic Compounds ROHM AND HAAS COMPANY (US) 2010-07-22 US disclosed
US-20100185002-A1 Method of Preparing Organometallic Compounds ROHM AND HAAS COMPANY (US) 2010-07-22 US disclosed
US-20100075154-A1 POLYMERIZABLE COMPOSITION FOR OPTICAL MATERIAL, OPTICAL MATERIAL, AND METHOD FOR PREPARING THE OPTICAL MATERIAL MITSUI CHEMICALS, INC. (JP) 2010-03-25 US disclosed
US-7659414-B2 Method of preparing organometallic compounds ROHM AND HAAS COMPANY (US) 2010-02-09 US disclosed
EP-2020258-A2 Method Of Preparing Organometallic Compounds Rohm and Haas Company (US) 2009-02-04 EP disclosed
US-20090023940-A1 Method of preparing organometallic compounds ROHM AND HAAS COMPANY 2009-01-22 US disclosed
EP-1988109-A1 POLYMERIZABLE COMPOSITION FOR POLYTHIOURETHANE OPTICAL MATERIAL Mitsui Chemicals, Inc. (JP) 2008-11-05 EP disclosed
EP-0141371-B1 SECONDARY BATTERY SHOWA DENKO KABUSHIKI KAISHA (JP) 1988-08-10 EP disclosed
US-4537843-A ELECTRODES OF POLYMER WITH CONJUGATED DOUBLE BONDS IN MAIN CHAIN, SHOWA DENKO KABUSHIKI KAISHA (JP) 1985-08-27 US disclosed
EP-0141371-A1 Secondary Battery SHOWA DENKO KABUSHIKI KAISHA (JP) 1985-05-15 EP disclosed