SCHEMBL5850445

SCHEMBL5850445

S=P(Cl)(Oc1cccc2ccccc12)Oc1cccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 3/20 0.43
PGR P06401 1/20 0.43
GAA P10253 1/20 0.43
PTGS1 P23219 1/20 0.43
MAPK1 P28482 1/20 0.43
HTR1B P28222 4/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 1/20 0.41
KDM4E B2RXH2 2/20 0.41
KCNA3 P22001 1/20 0.41
HPGD P15428 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MMP2 P08253 1/20 0.41
OGG1 O15527 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL789932 0.88 ALDH1A1 (0.43) HTTALDH1A1HSD17B10PGRGAA
SCHEMBL11670782 0.85 KDM4E (0.44) HTTALDH1A1HSD17B10PGRGAA
SCHEMBL719618 0.80 HTT (0.50) HTTALDH1A1HSD17B10PGRGAA
SCHEMBL1027272 0.80 HTT (0.50) HTTALDH1A1HSD17B10PGRGAA
SCHEMBL11126738 0.80 ALDH1A1 (0.47) HTTALDH1A1HSD17B10PGRGAA
SCHEMBL29510856 0.80 HTT (0.50) HTTALDH1A1HSD17B10PGRGAA
SCHEMBL10688058 0.80 HTR1B (0.47) HTTALDH1A1HSD17B10PGRGAA
SCHEMBL11124924 0.80 ALDH1A1 (0.47) HTTALDH1A1HSD17B10PGRGAA
SCHEMBL1027274 0.77 HTT (0.48) HTTALDH1A1HSD17B10PGRGAA
SCHEMBL15169583 0.76 HTT (0.67) HTTALDH1A1HSD17B10PGRGAA

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-7153901-B2 Low viscosity flame retardants are the reaction product of a mixed ester of tetrabromophthalic acid with diethylene glycol and propylene glycol with an acid anhydride, organic phosphate, or organic chlorophosphate; minimizing visible scorching of the flexible polyurethane foam during its production ALBEMARLE CORPORATION (US) 2006-12-26 US disclosed
EP-1685176-A2 FLAME RETARDANT, ADDITIVE COMPOSITIONS, AND FLAME RETARDANT POLYURETHANES ALBEMARLE CORPORATION (US) 2006-08-02 EP disclosed
WO-2005052018-A2 FLAME RETARDANT, ADDITIVE COMPOSITIONS, AND FLAME RETARDANT POLYURETHANES ALBEMARLE CORPORATION (US) 2005-06-09 WO disclosed
US-20050113495-A1 Flame retardant, additive compositions, and flame retardant polyurethanes ALBEMARLE CORPORATION 2005-05-26 US disclosed