SCHEMBL9645656

SCHEMBL9645656

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

nearest known ligand 0.42

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL9645667 1.00 ALDH1A1 (0.42) ALDH1A1
SCHEMBL9645663 1.00 ALDH1A1 (0.42) ALDH1A1
SCHEMBL9646848 0.92 ALDH1A1 (0.48) ALDH1A1
SCHEMBL9646830 0.92 ALDH1A1 (0.48) ALDH1A1
SCHEMBL9646837 0.92 ALDH1A1 (0.48) ALDH1A1
SCHEMBL9648021 0.89 ALDH1A1 (0.42) ALDH1A1
SCHEMBL9648032 0.89 ALDH1A1 (0.42) ALDH1A1
SCHEMBL9648009 0.89 ALDH1A1 (0.42) ALDH1A1
SCHEMBL2232344 0.85 ALDH1A1 (0.54) ALDH1A1
SCHEMBL2734448 0.85

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