SCHEMBL22474844

SCHEMBL22474844

CC1(S)CC(C2CCCC2)CCC(C2CCCC2)C1

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
SCHEMBL22211329 0.85 ALDH1A1 (0.38) ALDH1A1
SCHEMBL18490760 0.85 ALDH1A1 (0.38) ALDH1A1
SCHEMBL21013420 0.78 CYP1A2 (0.31)
SCHEMBL21622779 0.75
SCHEMBL30581233 0.71 ALDH1A1 (0.44) ALDH1A1
SCHEMBL18897676 0.69 ALDH1A1 (0.89) ALDH1A1
SCHEMBL19072068 0.69 ALDH1A1 (0.89) ALDH1A1
SCHEMBL19685101 0.69
SCHEMBL20193393 0.69 ALDH1A1 (0.89) ALDH1A1
SCHEMBL21841873 0.69 ALDH1A1 (0.89) 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
EP-3715978-A1 MACHINE TOOL AND METHOD FOR OPERATING IT Siemens Aktiengesellschaft (DE) 2020-09-30 EP disclosed