SCHEMBL14543777

SCHEMBL14543777

C=C(C)C(=O)OC1(C(C)C)C2CC3(C)CC1CC(C)(C2)C3

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
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
SCHEMBL684893 0.85 TSHR (0.31) TSHR
SCHEMBL14519249 0.84 ALDH1A1 (0.30) TSHRALDH1A1
SCHEMBL3305006 0.80 ALDH1A1 (0.34) ALDH1A1
SCHEMBL14519253 0.78 TSHR (0.33) TSHR
SCHEMBL525443 0.78 TSHR (0.34) TSHRALDH1A1
SCHEMBL17805477 0.78 TSHR (0.34) TSHRALDH1A1
SCHEMBL14519252 0.77 HSD11B1 (0.33)
SCHEMBL14519247 0.76 THRB (0.35) TSHRALDH1A1
SCHEMBL14519246 0.75 HSD11B1 (0.31) TSHR
SCHEMBL22841004 0.74 TSHR (0.32) TSHR

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-7205090-B2 Chemical amplification type positive resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-04-17 US disclosed