SCHEMBL9940198

SCHEMBL9940198

CCCOC(CC)CC=O

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL11647164 0.91 ALDH1A1 (0.33) ALDH1A1
SCHEMBL12919635 0.87 DNM1 (0.39) ALDH1A1
SCHEMBL27522784 0.87 DNM1 (0.39) ALDH1A1
SCHEMBL9940222 0.84 DNM1 (0.50) ALDH1A1
SCHEMBL8904919 0.83
SCHEMBL9344056 0.77 DNM1 (0.42) ALDH1A1
SCHEMBL12250249 0.77
SCHEMBL2855533 0.76 ALDH1A1 (0.33) ALDH1A1
SCHEMBL3952580 0.75 ALDH1A1 (0.35) ALDH1A1
SCHEMBL2927511 0.74

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2651875-A1 AMINES HAVING SECONDARY ALIPHATIC AMINO GROUPS Sika Technology AG (CH) 2013-10-23 EP disclosed
WO-2012080264-A1 AMINES HAVING SECONDARY ALIPHATIC AMINO GROUPS SIKA TECHNOLOGY AG (CH) 2012-06-21 WO disclosed