SCHEMBL16870945

SCHEMBL16870945

C=C(C)OC(C)CC(C)O

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL4275495 0.78 TSHR (0.45) TSHR
SCHEMBL3751182 0.75 TSHR (0.52) TDP1TSHR
SCHEMBL892368 0.74
SCHEMBL8731030 0.72 CYP19A1 (0.36) TDP1TSHR
SCHEMBL18933272 0.72
SCHEMBL2544207 0.72 TSHR (0.31) TSHR
SCHEMBL2721210 0.70 CYP19A1 (0.35) TDP1TSHR
SCHEMBL19541023 0.70 FAAH (0.43)
SCHEMBL9011742 0.69 MAPK1 (0.40) TDP1TSHR
SCHEMBL11056256 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015099485-A1 AN ORGANIC ELECTROLUMINESCENT COMPOUND AND AN ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2015-07-02 WO disclosed