SCHEMBL2213698

SCHEMBL2213698

BrCC(Br)CSCC(Br)CBr

nearest known ligand 0.42

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 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
SCHEMBL66165 0.71
Ammonia Solution, Strong SCHEMBL7390109 0.68
SCHEMBL1978922 0.65 ALDH1A1 (0.50) ALDH1A1
SCHEMBL5573888 0.65
SCHEMBL28417688 0.65
2,3-Dibromopropanol SCHEMBL10717953 0.59
SCHEMBL375023 0.59
SCHEMBL374508 0.59
SCHEMBL8324718 0.59
SCHEMBL545420 0.59

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