SCHEMBL11054986

SCHEMBL11054986

C=CCCC(C)(CC)OC(C)(CC)CCC=C

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL11054498 0.86 TSHR (0.42) TSHRALDH1A1
SCHEMBL10434596 0.84 TSHR (0.36) TSHRALDH1A1
SCHEMBL878287 0.72 TSHR (0.36) TSHRALDH1A1
SCHEMBL8419199 0.72
SCHEMBL17233353 0.71 TSHR (0.33) TSHRALDH1A1
SCHEMBL11055610 0.70 TSHR (0.31) TSHR
SCHEMBL4818426 0.69 TSHR (0.43) TSHRALDH1A1
SCHEMBL28737927 0.69 TSHR (0.45) TSHRALDH1A1
SCHEMBL23192221 0.68
SCHEMBL11694801 0.68

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
EP-0060523-B1 PROCESS FOR REMOVING HYDROPEROXIDES AND ALDEHYDES FROM ALLYL-ALKYL ETHER UNION CARBIDE CORPORATION (US) 1984-07-18 EP claimed