SCHEMBL9648477

SCHEMBL9648477

C=CCC[C@H]1CC[C@H](CC[C@H]2CC[C@H](COCC)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.30

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
SCHEMBL9648484 1.00 TSHR (0.30) TSHR
SCHEMBL9648496 1.00 TSHR (0.30) TSHR
SCHEMBL9648376 0.93
SCHEMBL9648401 0.93
SCHEMBL9648391 0.93
SCHEMBL9648362 0.89 TSHR (0.34) TSHR
SCHEMBL9648373 0.89 TSHR (0.34) TSHR
SCHEMBL9648357 0.89 TSHR (0.34) TSHR
SCHEMBL9645396 0.85
SCHEMBL9647343 0.85 ALDH1A1 (0.41)

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-5102578-A Electrooptics HOFFMANN-LA ROCHE INC. (US) 1992-04-07 US disclosed