SCHEMBL3372645

SCHEMBL3372645

O=C(O[V])c1ccccc1Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
SCN1A P35498 1/20 0.52
SCN2A Q99250 1/20 0.52
SCN3A Q9NY46 1/20 0.52
MAPT P10636 4/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
ALDH1A1 P00352 2/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
KDM4E B2RXH2 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
NFKB1 P19838 1/20 0.49
CYP2C19 P33261 1/20 0.49
BLM P54132 1/20 0.49
PMP22 Q01453 1/20 0.49

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
SCHEMBL11129391 0.85 TSHR (0.56) TSHRSCN1ASCN2ASCN3AMAPT
SCHEMBL1930582 0.84 SCN1A (0.57) TSHRSCN1ASCN2ASCN3AMAPT
SCHEMBL4285614 0.82 SCN1A (0.56) TSHRSCN1ASCN2ASCN3AMAPT
SCHEMBL905244 0.82 ALDH1A1 (0.63) TSHRSCN1ASCN2ASCN3AMAPT
SCHEMBL1897799 0.81 SCN1A (0.49) TSHRSCN1ASCN2ASCN3AMAPT
SCHEMBL2720454 0.81 ALDH1A1 (0.67) TSHRSCN1ASCN2ASCN3AMAPT
Hydrochloric Acid SCHEMBL28418329 0.81 TSHR (0.51) TSHRSCN1ASCN2ASCN3AMAPT
SCHEMBL29229340 0.81 SCN1A (0.55) TSHRSCN1ASCN2ASCN3AMAPT
Bicarbonate SCHEMBL27492793 0.81 ALDH1A1 (0.62) TSHRSCN1ASCN2ASCN3AMAPT
SCHEMBL3642333 0.79 TSHR (0.65) TSHRSCN1ASCN2ASCN3AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1572752-B1 POLYMERIZATION PROCESSES EXXONMOBIL CHEM PATENTS INC (US) 2014-08-13 EP claimed
EP-1578806-B1 POLYMERIZATION PROCESSES EXXONMOBIL CHEM PATENTS INC (US) 2013-05-22 EP claimed
EP-1572753-B1 POLYMERIZATION PROCESSES EXXONMOBIL CHEM PATENTS INC (US) 2012-06-13 EP claimed
EP-1761574-B1 POLYMERIZATION PROCESS USING HYDROFLUOROCARBONS EXXONMOBIL CHEM PATENTS INC (US) 2012-06-13 EP claimed
EP-1572751-B1 POLYMERIZATION PROCESSES EXXONMOBIL CHEM PATENTS INC (US) 2010-06-23 EP claimed