SCHEMBL7772645

SCHEMBL7772645

OB(Oc1c(F)cccc1B(O)O)c1cccc(F)c1O

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.37
ALB P02768 1/20 0.33
ENPP2 Q13822 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
SCHEMBL7772644 0.80 ERN1 (0.48) ERN1ALBENPP2
SCHEMBL2821248 0.80 ERN1 (0.48) ERN1ALBENPP2
SCHEMBL7768717 0.76 ALDH1A1 (0.45) ENPP2
SCHEMBL5198 0.74 ENPP2 (0.47) ENPP2
SCHEMBL7772646 0.74 ERN1 (0.40) ERN1ALB
SCHEMBL29950828 0.74 SCN9A (0.36) ENPP2
SCHEMBL7772570 0.72 ENPP2 (0.50) ERN1ENPP2
SCHEMBL31546303 0.70 ENPP2 (0.34) ENPP2
SCHEMBL29956129 0.70 L3MBTL1 (0.40) ENPP2
SCHEMBL3984741 0.70 L3MBTL1 (0.40) ENPP2

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