SCHEMBL29670528

SCHEMBL29670528

CCCC(OC)(OC)OC.CCCCOC(C)(OCCCC)OCCCC

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.32
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 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
SCHEMBL10762136 0.82 TSHR (0.44) CYP3A4ADRB2ADRB1ADRB3
SCHEMBL8404973 0.77 CYP3A4 (0.40) CYP3A4ADRB2ADRB1ADRB3
SCHEMBL594532 0.76 ALDH1A1 (0.35)
SCHEMBL8989147 0.75 ADRB2 (0.38) CYP3A4ADRB2ADRB1ADRB3
SCHEMBL11621801 0.73 TSHR (0.35)
SCHEMBL7259701 0.73 ADRB2 (0.36) CYP3A4ADRB2ADRB1ADRB3
SCHEMBL11374678 0.72 THRB (0.44)
SCHEMBL3879551 0.72 ADRB2 (0.39) CYP3A4ADRB2ADRB1ADRB3
SCHEMBL20145107 0.72 THRB (0.44)
SCHEMBL594044 0.71 TSHR (0.35) ADRB2ADRB1ADRB3

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
US-11365326-B2 Thermosetting composition, paint finishing method and method for producing a painted article AKZO NOBEL COATINGS INTERNATIONAL B.V. 2022-06-21 US disclosed