SCHEMBL331343

SCHEMBL331343

S=C=NCC(N=C=S)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MIF P14174 11/20 0.65
TRPA1 O75762 3/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.44
CYP2E1 P05181 1/20 0.41
CYP2A6 P11509 1/20 0.41
HIF1A Q16665 1/20 0.41
CYP2A13 Q16696 1/20 0.41
EPAS1 Q99814 1/20 0.41
NAAA Q02083 4/20 0.37
KEAP1 Q14145 2/20 0.33
NFE2L2 Q16236 2/20 0.33
CYP2C19 P33261 1/20 0.33
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33

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
SCHEMBL2139577 0.87 MIF (0.50) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL2139583 0.87 MIF (0.59) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL1247579 0.79 MIF (0.50) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL8101646 0.79 MIF (0.57) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL9715359 0.78 MIF (0.67) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL3915370 0.78 MIF (1.00) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL8763999 0.78 MIF (0.48) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL6386364 0.77 MIF (0.65) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL8101546 0.76 MIF (0.54) MIFTRPA1CYP2E1CYP2A6HIF1A
SCHEMBL1526826 0.76 MIF (0.73) MIFTRPA1ALDH1A1CYP3A4HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6846679-B1 Characterizing polypeptides through cleavage and mass spectrometry XZILLION GMBH & CO., KG (DE) 2005-01-25 US claimed
EP-1117999-B1 CHARACTERISING POLYPEPTIDES THROUGH CLEAVAGE AND MASS SPECTROMETRY XZILLION GMBH & CO KG (DE) 2003-02-05 EP claimed
EP-1117999-A1 CHARACTERISING POLYPEPTIDES THROUGH CLEAVAGE AND MASS SPECTROMETRY Brax Group Limited (GB) 2001-07-25 EP claimed
WO-2000020870-A1 CHARACTERISING POLYPEPTIDES THROUGH CLEAVAGE AND MASS SPECTROMETRY BRAX GROUP LIMITED (GB) 2000-04-13 WO claimed
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
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
US-20110190466-A1 POLYMERIZABLE COMPOSITION FOR POLYTHIOURETHANE OPTICAL MATERIAL MITSUI CHEMICALS, INC. (JP) 2011-08-04 US disclosed
US-20110112269-A1 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) 2011-05-12 US disclosed
EP-2295484-A1 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) 2011-03-16 EP disclosed
US-20100234498-A1 INTERNAL MOLD RELEASE AGENT FOR PRODUCTION OF POLYTHIOURETHANE OPTICAL MATERIAL MITSUI CHEMICALS, INC. (JP) 2010-09-16 US disclosed
US-20100016517-A1 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) 2010-01-21 US disclosed
EP-2116558-A1 POLYMERIZATION CATALYST FOR POLYTHIOURETHANE OPTICAL MATERIAL, POLYMERIZABLE COMPOSITION CONTAINING THE CATALYST, OPTICAL MATERIAL OBTAINED FROM THE COMPOSITION, AND METHOD FOR PRODUCING THE OPTICAL MATERIAL Mitsui Chemicals, Inc. (JP) 2009-11-11 EP disclosed
EP-1988110-A1 INTERNAL MOLD RELEASE AGENT FOR PRODUCTION OF POLYTHIOURETHANE OPTICAL MATERIAL Mitsui Chemicals, Inc. (JP) 2008-11-05 EP disclosed
EP-1988109-A1 POLYMERIZABLE COMPOSITION FOR POLYTHIOURETHANE OPTICAL MATERIAL Mitsui Chemicals, Inc. (JP) 2008-11-05 EP disclosed