SCHEMBL331446

SCHEMBL331446

CC(C)(N=C=S)c1ccccc1C(C)(C)N=C=S

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MIF P14174 6/20 0.36
ALDH1A1 P00352 3/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TRPA1 O75762 2/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
POLB P06746 1/20 0.32
CA2 P00918 1/20 0.31
CYP2E1 P05181 1/20 0.30
CYP2A6 P11509 1/20 0.30
HIF1A Q16665 1/20 0.30
CYP2A13 Q16696 1/20 0.30
EPAS1 Q99814 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
SCHEMBL8763971 0.84 GABRA1 (0.35) MIFALDH1A1TRPA1CYP3A4HPGD
SCHEMBL8763183 0.79 MIF (0.39) MIFALDH1A1TSHRTRPA1CYP3A4
SCHEMBL8762174 0.78 GABRA1 (0.36)
SCHEMBL145276 0.76 ALDH1A1 (0.34) ALDH1A1TSHRTDP1CYP3A4CA2
SCHEMBL29483754 0.76 ALDH1A1 (0.34) ALDH1A1TSHRTDP1CYP3A4CA2
SCHEMBL6675119 0.75 MIF (0.31) MIFTSHR
SCHEMBL3246192 0.73 MIF (0.37) MIF
SCHEMBL8763192 0.70 PDE2A (0.32)
SCHEMBL8763240 0.70
SCHEMBL6889221 0.70 MIF (0.39) MIFALDH1A1TSHRTRPA1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2497791-B1 METHOD FOR PRODUCING INTERNAL MOLD RELEASE AGENT FOR OPTICAL MATERIAL, INTERNAL MOLD RELEASE AGENT FOR OPTICAL MATERIAL, AND POLYMERIZABLE COMPOSITION INCLUDING THE SAME MITSUI CHEMICALS INC (JP) 2020-05-13 EP disclosed
US-10106660-B2 Film containing a resin having a thiourethane bond and uses thereof MITSUI CHEMICALS, INC. (JP) 2018-10-23 US disclosed
EP-2295484-B1 POLYMERIZABLE COMPOSITION FOR POLYTHIOURETHANE OPTICAL MATERIAL, POLYTHIOURETHANE OPTICAL MATERIAL OBTAINED FROM SAME POLYMERIZABLE COMPOSITION, AND POLYMERIZATION CATALYST FOR POLYTHIOURETHANE OPTICAL MATERIAL MITSUI CHEMICALS INC (JP) 2018-01-17 EP disclosed
EP-2407498-B1 Polymerizable composition for polythiourethane optical material, polythiourethane optical material obtained from the polymerizable composition, and polymerization catalyst for polythiourethane optical material MITSUI CHEMICALS INC (JP) 2017-11-15 EP disclosed
EP-2116558-B1 POLYMERIZABLE COMPOSITION CONTAINING A CATALYST, OPTICAL MATERIAL OBTAINED FROM THE COMPOSITION, AND METHOD FOR PRODUCING THE OPTICAL MATERIAL MITSUI CHEMICALS INC (JP) 2017-01-18 EP disclosed
EP-1988110-B1 INTERNAL MOLD RELEASE AGENT FOR PRODUCTION OF POLYTHIOURETHANE OPTICAL MATERIAL MITSUI CHEMICALS INC (JP) 2017-01-04 EP disclosed
US-20160264743-A1 FILM CONTAINING A RESIN HAVING A THIOURETHANE BOND AND USES THEREOF MITSUI CHEMICALS, INC. (JP) 2016-09-15 US disclosed
US-9290656-B2 Polymerizable composition for polythiourethane optical material MITSUI CHEMICALS, INC. (JP) 2016-03-22 US disclosed
EP-2065414-B1 POLYMERIZATION CATALYST FOR POLYTHIOURETHANE OPTICAL MATERIAL, POLYMERIZABLE COMPOSITION CONTAINING THE CATALYST, POLYTHIOURETHANE RESIN OBTAINED FROM THE COMPOSITION, AND METHOD FOR PRODUCING THE RESIN MITSUI CHEMICALS INC (JP) 2014-04-30 EP disclosed
US-8586694-B2 Polymerization catalyst for polythiourethane-based optical material, polymerizable composition containing the catalyst, optical material obtained from the composition, and method for preparing the optical material MITSUI CHEMICALS, INC. (JP) 2013-11-19 US disclosed
EP-1988110-A1 INTERNAL MOLD RELEASE AGENT FOR PRODUCTION OF POLYTHIOURETHANE OPTICAL MATERIAL Mitsui Chemicals, Inc. (JP) 2008-11-05 EP disclosed
EP-1137957-A2 METHOD OF PREPARING A SHAPED ARTICLE HAVING A PHOTOCHROMIC COATING THEREON PPG Industries Ohio, Inc. (US) 2001-10-04 EP disclosed
WO-2000034805-A2 METHOD OF PREPARING A SHAPED ARTICLE HAVING A PHOTOCHROMIC COATING THEREON PPG INDUSTRIES OHIO, INC. (US) 2000-06-15 WO disclosed
EP-0349195-B1 Direct synthesis by cationic polymerization of nitrogen-containing polymers EXXON CHEMICAL PATENTS INC (US) 1997-05-21 EP disclosed
US-5629394-A ENDCAPPING ADDITION POLYMERS WITH NITROGEN FUNCTIONAL GROUPS WHICH CAN BE FURTHER DERIVATIZED EXXON CHEMICAL PATENTS INC (US) 1997-05-13 US disclosed
US-5444135-A Polymerization and functionalization with nitrogen-containing functional groups occur simultaneously EXXON CHEMICAL PATENTS INC. (US) 1995-08-22 US disclosed
US-5336745-A Terminally-substituted polymeric compositions from cationically polymerizable monomers and initiators EXXON CHEMICAL PATENTS INC. (US) 1994-08-09 US disclosed
US-5032653-A Catalysts EXXON CHEMICAL PATENTS, INC. (US) 1991-07-16 US disclosed
EP-0351073-A2 Lens comprising a resin having a large refractive index and process for preparing the lens MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-01-17 EP disclosed
EP-0349195-A2 Direct synthesis by cationic polymerization of nitrogen-containing polymers EXXON CHEMICAL PATENTS INC. (US) 1990-01-03 EP disclosed