SCHEMBL4751550

SCHEMBL4751550

C[CH]C1CCC2CCCCC12

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL6592897 0.95
SCHEMBL4754118 0.90 F2R (0.34) ALDH1A1
SCHEMBL9537517 0.75 ALDH1A1 (0.33) ALDH1A1
SCHEMBL8638465 0.75 ALDH1A1 (0.33) ALDH1A1
SCHEMBL9637777 0.75 CYP1A2 (0.31)
SCHEMBL7920157 0.71 F2R (0.38) ALDH1A1
SCHEMBL7920161 0.71 F2R (0.38) ALDH1A1
SCHEMBL11066714 0.71 ALDH1A1 (0.54) ALDH1A1
SCHEMBL184348 0.71 ALDH1A1 (0.54) ALDH1A1
SCHEMBL19253305 0.71 ALDH1A1 (0.54) 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
WO-2008149962-A1 THIOIMIDATE COMPOUND AND USE THEREOF FOR CONTROLLING PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-12-11 WO disclosed