SCHEMBL2640697

SCHEMBL2640697

C=C(CCl)c1ccccc1.FC(F)=C(F)c1cccc(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.38
CES1 P23141 2/20 0.38
BCHE P06276 1/20 0.38
KAT6A Q92794 1/20 0.33
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
ALDH1A1 P00352 4/20 0.32
TRPA1 O75762 1/20 0.32
MAPK1 P28482 1/20 0.32
GSK3B P49841 1/20 0.32
HIF1A Q16665 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
RAB9A P51151 2/20 0.31
NPC1 O15118 1/20 0.30

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
SCHEMBL22540 0.78 CES2 (0.58) CES2CES1BCHEKAT6AALDH1A1
SCHEMBL15851 0.74 ALDH1A1 (0.52) CES1MAOAMAOBALDH1A1TRPA1
O-Xylene SCHEMBL28242721 0.73 CES2 (0.48) CES2CES1BCHEKAT6AALDH1A1
Styrene SCHEMBL8333795 0.73 ALDH1A1 (0.45) CES2CES1BCHEKAT6AALDH1A1
Methacrylic Acid SCHEMBL9728600 0.73 CES2 (0.50) CES2CES1BCHEKAT6AALDH1A1
SCHEMBL16795659 0.70 ALDH1A1 (0.48) CES2CES1BCHEALDH1A1SMN1; SMN2
SCHEMBL28557442 0.70 CES2 (0.54) CES2CES1BCHEKAT6AALDH1A1
SCHEMBL18130110 0.70 CES2 (0.46) CES2CES1BCHEKAT6AALDH1A1
SCHEMBL16795792 0.69 CES2 (0.52) CES2CES1BCHEKAT6AALDH1A1
SCHEMBL5845101 0.69 CES2 (0.56) CES2CES1BCHEKAT6AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8470205-B2 Electrically conductive films formed from dispersions comprising conductive polymers and hyperbranched polymers AIR PRODUCTS AND CHEMICALS, INC. (US) 2013-06-25 US claimed
EP-2438120-A1 ELECTRICALLY CONDUCTIVE FILMS FORMED FROM DISPERSIONS COMPRISING CONDUCTIVE POLYMERS AND HYPERBRANCHED POLYMERS Air Products and Chemicals, Inc. (US) 2012-04-11 EP disclosed
US-20100308281-A1 Electrically Conductive Films Formed From Dispersions Comprising Conductive Polymers and Hyperbranched Polymers AIR PRODUCTS AND CHEMICALS, INC. (US) 2010-12-09 US disclosed
WO-2010141129-A1 ELECTRICALLY CONDUCTIVE FILMS FORMED FROM DISPERSIONS COMPRISING CONDUCTIVE POLYMERS AND HYPERBRANCHED POLYMERS AIR PRODUCTS AND CHEMICALS, INC. (US) 2010-12-09 WO disclosed