SCHEMBL9647654

SCHEMBL9647654

C=CCCC1CCC(CCC2CCC(COCC=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
SCHEMBL9647640 1.00 ALDH1A1 (0.42) ALDH1A1
SCHEMBL9647646 1.00 ALDH1A1 (0.42) ALDH1A1
SCHEMBL9406433 0.93 ALDH1A1 (0.40) ALDH1A1
SCHEMBL9648241 0.93 ALDH1A1 (0.40) ALDH1A1
SCHEMBL9406434 0.93 ALDH1A1 (0.40) ALDH1A1
SCHEMBL9646848 0.92 ALDH1A1 (0.48) ALDH1A1
SCHEMBL9646830 0.92 ALDH1A1 (0.48) ALDH1A1
SCHEMBL9646837 0.92 ALDH1A1 (0.48) ALDH1A1
SCHEMBL9647145 0.89 ALDH1A1 (0.40) ALDH1A1
SCHEMBL9647133 0.89 ALDH1A1 (0.40) ALDH1A1

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