SCHEMBL3810049

SCHEMBL3810049

Oc1ccc(C(c2ccc(O)c([AsH2])c2)(C(F)(F)F)C(F)(F)F)cc1[AsH2]

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.50
ESR2 Q92731 2/20 0.50
NQO2 P16083 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
RECQL P46063 1/20 0.31
AR P10275 1/20 0.31
KIF11 P52732 1/20 0.30
PTGS2 P35354 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
SCHEMBL31519450 0.80 ESR1 (0.56) ESR1ESR2NQO2ALDH1A1HPGD
SCHEMBL8908506 0.80 ESR1 (0.56) ESR1ESR2NQO2ALDH1A1HPGD
SCHEMBL29925195 0.77 ESR1 (0.59) ESR1ESR2ALDH1A1HPGDALOX15
SCHEMBL29404885 0.77 ESR1 (0.59) ESR1ESR2ALDH1A1HPGDALOX15
SCHEMBL29404893 0.77 ESR1 (0.52) ESR1ESR2NQO2ALDH1A1HPGD
SCHEMBL3681247 0.77 ESR1 (0.52) ESR1ESR2NQO2ALDH1A1HPGD
SCHEMBL3688722 0.77 ESR1 (0.59) ESR1ESR2ALDH1A1HPGDALOX15
SCHEMBL26579 0.75 ALDH1A1 (0.59) ESR1ESR2NQO2ALDH1A1HPGD
SCHEMBL29360962 0.75 ALDH1A1 (0.59) ESR1ESR2NQO2ALDH1A1HPGD
SCHEMBL7937259 0.75 ESR2 (0.50) ESR1ESR2NQO2ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1455007-B1 Method for depositing and patterning carbon nanotubes using chemical self-assembly process SAMSUNG ELECTRONICS CO LTD (KR) 2010-06-02 EP claimed
EP-3335225-A1 PROCESS FOR FORMING A SOLDERABLE POLYIMIDE-BASED POLYMER THICK FILM CONDUCTOR E. I. du Pont de Nemours and Company (US) 2018-06-20 EP disclosed