SCHEMBL11188600

SCHEMBL11188600

CC(C=CO)=CCC1C(C)=CC(=O)CC1(C)C

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.34

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
SCHEMBL11784620 0.86 TSHR (0.31) TSHR
SCHEMBL11784222 0.84 ABCB11 (0.32) TSHR
SCHEMBL9693959 0.74 ALDH1A1 (0.33) —
SCHEMBL29652096 0.73 ALDH1A1 (0.33) —
SCHEMBL31711467 0.73 NR3C1 (0.32) —
SCHEMBL10887921 0.70 ALDH1A1 (0.36) TSHR
SCHEMBL10887914 0.70 ALDH1A1 (0.36) TSHR
SCHEMBL11159606 0.70 ALDH1A1 (0.31) —
SCHEMBL29737269 0.69 TSHR (0.41) TSHR
SCHEMBL11219012 0.69 TSHR (0.31) 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
EP-0077439-A2 Process for the preparation of cyclohexene derivatives, and a starting product and intermediary products in this process F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1983-04-27 — — EP disclosed
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