SCHEMBL11220545

SCHEMBL11220545

CCC(CC)(OOC(C)(C)C)OOC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.53
TDP1 Q9NUW8 3/20 0.53
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL27338387 1.00 TSHR (0.53) TSHRTDP1ALDH1A1
SCHEMBL27338454 1.00 TSHR (0.53) TSHRTDP1ALDH1A1
SCHEMBL30968314 0.83 TSHR (0.42) TSHRTDP1
Propane SCHEMBL297421 0.78 TSHR (0.73) TSHRTDP1ALDH1A1
SCHEMBL27338386 0.78 TSHR (0.45) TSHRTDP1ALDH1A1
SCHEMBL27338449 0.78 TSHR (0.45) TSHRTDP1ALDH1A1
SCHEMBL27338380 0.78 TSHR (0.33) TSHRTDP1ALDH1A1
SCHEMBL9627152 0.78 TSHR (0.45) TSHRTDP1ALDH1A1
SCHEMBL30218651 0.77 TSHR (0.36) TSHRTDP1
SCHEMBL29068632 0.75 TSHR (0.35) TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4327030-A BY POLYMERIZATION IN VEGETABLE OILS EMERY INDUSTRIES, INC. (US) 1982-04-27 US claimed
US-4327030-A BY POLYMERIZATION IN VEGETABLE OILS EMERY INDUSTRIES, INC. (US) 1982-04-27 US disclosed