SCHEMBL4448673

SCHEMBL4448673

ClC(Br)(Br)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.61
CYP1A2 P05177 2/20 0.55
KCNN4 O15554 5/20 0.45
ALDH1A1 P00352 3/20 0.45
ALOX15 P16050 1/20 0.42
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
CYP2C19 P33261 2/20 0.40
PTPN1 P18031 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
MAPK1 P28482 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
PGK1 P00558 1/20 0.37
PGK2 P07205 1/20 0.37
HIF1A Q16665 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37

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
SCHEMBL1128768 0.80 TSHR (0.61) TSHRCYP1A2KCNN4ALDH1A1ALOX15
SCHEMBL21831068 0.80 TSHR (0.61) TSHRCYP1A2KCNN4ALDH1A1ALOX15
SCHEMBL9775748 0.79 TSHR (0.52) TSHRCYP1A2KCNN4ALDH1A1ALOX15
SCHEMBL2761191 0.79 TSHR (0.52) TSHRCYP1A2KCNN4ALDH1A1ALOX15
SCHEMBL456764 0.78 TSHR (0.58) TSHRCYP1A2KCNN4ALDH1A1ALOX15
SCHEMBL6361861 0.78 TSHR (0.58) TSHRCYP1A2KCNN4ALDH1A1ALOX15
SCHEMBL4747863 0.78 TSHR (0.58) TSHRCYP1A2KCNN4ALDH1A1ALOX15
SCHEMBL30172471 0.78 TSHR (0.58) TSHRCYP1A2KCNN4ALDH1A1ALOX15
SCHEMBL151981 0.76 TSHR (0.65) TSHRCYP1A2KCNN4ALDH1A1ALOX15
Chlorotriphenylmethane SCHEMBL461 0.76 TSHR (0.65) TSHRCYP1A2KCNN4ALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513346-B2 Flame retardant composition for use in styrenics CHEMTURA CORPORATION (US) 2013-08-20 US disclosed
US-20120184638-A1 Flame Retardant Composition for Use in Styrenics LANXESS SOLUTIONS US INC. 2012-07-19 US disclosed
EP-2115059-A1 FLAME RETARDANT COMPOSITION FOR USE IN STYRENICS CHEMTURA CORPORATION (US) 2009-11-11 EP disclosed
US-20080306190-A1 Composition of matter based on alkyl benzyl esters LANXESS DEUTSCHLAND GMBH (DE) 2008-12-11 US disclosed
WO-2008127753-A1 FLAME RETARDANT COMPOSITION FOR USE IN STYRENICS CHEMTURA CORPORATION (US) 2008-10-23 WO disclosed
EP-1983024-A1 Material mixture based on alkylbenzyl esters Lanxess Deutschland GmbH (DE) 2008-10-22 EP disclosed
US-20080221239-A1 Flame retardant composition for use in styrenics RECREATIONAL WATER PRODUCTS, INC. 2008-09-11 US disclosed
EP-0023415-A2 A method of mounting ventilators, lights and the like in sealed relation to an opening and a preformed sealing material for use in such a method COLT INTERNATIONAL HOLDINGS A.G. (CH) 1981-02-04 EP disclosed