SCHEMBL1997775

SCHEMBL1997775

CC(CCBr)OCCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
TSHR P16473 2/20 0.37
IDO1 P14902 1/20 0.36
SIGMAR1 Q99720 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
POLB P06746 1/20 0.36
TRPA1 O75762 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL6883398 0.86 TDP1 (0.47) TDP1TSHRPOLBALDH1A1
SCHEMBL4722884 0.81 TSHR (0.41) TDP1TSHRIDO1SIGMAR1TRPA1
SCHEMBL27031985 0.81 TSHR (0.41) TDP1TSHRIDO1SIGMAR1TRPA1
SCHEMBL14118700 0.81 SIGMAR1 (0.48) SIGMAR1TRPA1
SCHEMBL6657672 0.81 SIGMAR1 (0.37) CA1CA2CA9TSHRIDO1
SCHEMBL28387643 0.81 CA1 (0.36) CA1CA2CA9TSHRIDO1
SCHEMBL18473626 0.81 PPARG (0.47) SIGMAR1
SCHEMBL13901956 0.79 CA1 (0.40) CA1CA2CA9IDO1SIGMAR1
SCHEMBL11022498 0.78 TDP1 (0.42) TDP1SIGMAR1
SCHEMBL11022222 0.78 CA1 (0.43) TDP1CA1CA2CA9TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1857471-B1 POLYMERIZATION CATALYST COMPOSITION AND PROCESS FOR PRODUCTION OF POLYMER MITSUI CHEMICALS INC (JP) 2013-04-24 EP disclosed
US-7960305-B2 a mixture of a phosphazenium compound such as tetrakis[tris(dimethylamino)phosphoranylideneamino]phosphonium chloride, transition metal halides and an organic halogen compound as an activator, used for addition homo/copolymerization; living polymers MITSUI CHEMICALS, INC. (JP) 2011-06-14 US disclosed
CN-101128491-B Polymerization catalyst composition and method for producing polymer MITSUI CHEMICALS INC 2010-09-08 CN disclosed
US-20080177014-A1 Polymerization Catalyst Composition and Process for Production of Polymer MITSUI CHEMICALS, INC. (JP) 2008-07-24 US disclosed
CN-101128491-A Polymerization catalyst composition and method for producing polymer MITSUI CHEMICALS INC (JP) 2008-02-20 CN disclosed
EP-1857471-A1 POLYMERIZATION CATALYST COMPOSITION AND PROCESS FOR PRODUCTION OF POLYMER Mitsui Chemicals, Inc. (JP) 2007-11-21 EP disclosed