SCHEMBL4887912

SCHEMBL4887912

CCC(CCCO)CCC(C)(O)CC

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
CA2 P00918 2/20 0.32

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
SCHEMBL4893466 0.88 ALDH1A1 (0.40) ALDH1A1CA2
SCHEMBL17524031 0.82 ALDH1A1 (0.41) ALDH1A1CA2
SCHEMBL17524030 0.82 ALDH1A1 (0.41) ALDH1A1CA2
SCHEMBL30122685 0.81 ALDH1A1 (0.39) ALDH1A1CA2
SCHEMBL9173076 0.78 ALDH1A1 (0.55) ALDH1A1CA2
SCHEMBL16104742 0.78 ALDH1A1 (0.41) ALDH1A1CA2
SCHEMBL4890744 0.77 ALDH1A1 (0.52) ALDH1A1
SCHEMBL4889370 0.77 ALDH1A1 (0.38) ALDH1A1
SCHEMBL17526574 0.76 ALDH1A1 (0.52) ALDH1A1CA2
SCHEMBL17526573 0.76 ALDH1A1 (0.52) ALDH1A1CA2

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-20080293880-A1 Liquid, Thermally Curable Mixtures, Their Preparation and Use BASF COATINGS AG (DE) 2008-11-27 US claimed