SCHEMBL7772644

SCHEMBL7772644

OB(O)c1cccc(F)c1O.OB(O)c1cccc(F)c1O

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.48
ALB P02768 1/20 0.43
ENPP2 Q13822 2/20 0.37
CES2 O00748 2/20 0.36
CES1 P23141 2/20 0.36
ALDH1A1 P00352 1/20 0.35
ACHE P22303 1/20 0.33
BCHE P06276 1/20 0.32

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
SCHEMBL2821248 1.00 ERN1 (0.48) ERN1ALBENPP2CES2CES1
SCHEMBL25344613 0.81 ERN1 (0.41) ERN1ALBENPP2ACHE
SCHEMBL29829580 0.81 ERN1 (0.41) ERN1ALBENPP2ACHE
SCHEMBL7772645 0.80 ERN1 (0.37) ERN1ALBENPP2
SCHEMBL4384 0.78 CES2 (0.43) ERN1ENPP2CES2CES1ACHE
SCHEMBL29399046 0.78 CES2 (0.43) ERN1ENPP2CES2CES1ACHE
SCHEMBL115327 0.77 ENPP2 (0.46) ENPP2CES2CES1ACHE
SCHEMBL29468967 0.77 ENPP2 (0.46) ENPP2CES2CES1ACHE
SCHEMBL9627 0.76 ACHE (0.39) ERN1ENPP2CES2CES1ALDH1A1
Hydrochloric Acid SCHEMBL29017070 0.76 CES2 (0.41) ERN1ENPP2CES2CES1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1119573-A2 BIPYRIDINE MANGANESE COMPLEXES EUKARION, INC. (US) 2001-08-01 EP disclosed
US-6177419-B1 ANTIOXIDANT CHELATE COMPOUNDS FOR PREVENTING OXYGEN FREE RADICAL-ASSOCIATED DISEASES IN MAMMALS; NEUROPROTECTANTS, SUPEROXIDE DISMUTASE (SOD), CATALASE (CAT) AND/OR PEROXIDASE (POD) MIMETICS EUKARION, INC. 2001-01-23 US disclosed
WO-2000009512-A2 BIPYRIDINE MANGANESE COMPLEXES EUKARION, INC. (US) 2000-02-24 WO disclosed