SCHEMBL2215140

SCHEMBL2215140

ClCC(Cl)CSCC(Cl)CCl

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL20094769 0.82
SCHEMBL2214108 0.71
1,2,3-Trichloropropane SCHEMBL19623 0.71
SCHEMBL1070183 0.69 ALDH1A1 (0.35) TSHRTDP1
1,2,3-Trichloropropane SCHEMBL9165802 0.68
1,2,3-Trichloropropane SCHEMBL9420254 0.68
1,2,3-Trichloropropane SCHEMBL5060026 0.68
SCHEMBL2216882 0.67
SCHEMBL246318 0.65
SCHEMBL3339709 0.65

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104211623-A PROCESS FOR PRODUCING (POLY)THIOL COMPOUND FOR USE AS OPTICAL MATERIAL, AND POLYMERIZABLE COMPOSITION CONTAINING THE COMPOUND MITSUI CHEMICALS INC 2014-12-17 CN disclosed
EP-2008998-B1 PROCESS FOR PRODUCTION OF (POLY)THIOL COMPOUND FOR USE AS OPTICAL MATERIAL MITSUI CHEMICALS INC (JP) 2013-06-05 EP disclosed
US-20110178264-A1 PROCESS FOR PRODUCING (POLY)THIOL COMPOUND FOR USE AS OPTICAL MATERIAL, AND POLYMERIZABLE COMPOSITION CONTAINING THE COMPOUND MITSUI CHEMICALS, INC. (JP) 2011-07-21 US disclosed
US-20100298521-A1 PROCESS FOR PRODUCING (POLY)THIOL COMPOUND FOR USE AS OPTICAL MATERIAL, AND POLYMERIZABLE COMPOSITION CONTAINING THE COMPOUND MITSUI CHEMICALS, INC. (JP) 2010-11-25 US disclosed
US-20090264613-A1 PROCESS FOR PRODUCING (POLY)THIOL COMPOUND FOR USE AS OPTICAL MATERIAL, AND POLYMERIZABLE COMPOSITION CONTAINING THE COMPOUND MITSUI CHEMICALS, INC. (JP) 2009-10-22 US disclosed
CN-101421232-A Process for producing (poly) thiol compound for optical material and polymerizable composition containing the same MITSUI CHEMICALS INC (JP) 2009-04-29 CN disclosed
EP-2008998-A1 PROCESS FOR PRODUCTION OF (POLY)THIOL COMPOUND FOR USE AS OPTICAL MATERIAL, AND POLYMERIZABLE COMPOSITION COMPRISING THE COMPOUND Mitsui Chemicals, Inc. (JP) 2008-12-31 EP disclosed