SCHEMBL1276971

SCHEMBL1276971

CCCCOP(OC)OCCC

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL1276961 0.95 ADRB2 (0.39) ADRB2ADRB1ADRB3CA1CA2
SCHEMBL1276963 0.90 ADRB2 (0.39) ADRB2ADRB1ADRB3CA1CA2
SCHEMBL1276477 0.89 CA1 (0.32) CA1CA2ALDH1A1
SCHEMBL1276843 0.88 ADRB2 (0.35) ADRB2ADRB1ADRB3CA1CA2
SCHEMBL1727350 0.87 ADRB2 (0.41) ADRB2ADRB1ADRB3CA1CA2
SCHEMBL1725364 0.87 ADRB2 (0.41) ADRB2ADRB1ADRB3CA1CA2
SCHEMBL1726487 0.85 CA1 (0.41) CA1CA2TSHR
SCHEMBL11712959 0.85 CA1 (0.41) CA1CA2TSHR
SCHEMBL11437081 0.85 CA1 (0.41) CA1CA2TSHR
SCHEMBL1276819 0.84

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
CN-102150315-B Secondary cell NEC CORP. (JP) 2015-07-29 CN disclosed
CN-102150315-A Secondary battery NEC CORP 2011-08-10 CN disclosed
CN-102037600-A Secondary battery NEC CORP 2011-04-27 CN disclosed
US-20110070504-A1 SECONDARY BATTERY NEC CORPORATION (JP) 2011-03-24 US disclosed
EP-2280444-A1 SECONDARY BATTERY NEC Corporation (JP) 2011-02-02 EP disclosed