SCHEMBL25862136

SCHEMBL25862136

CCN(COC)COCN(COC)COC

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL5892413 0.91
SCHEMBL863172 0.84
SCHEMBL5892554 0.82
SCHEMBL13241895 0.80
SCHEMBL12786915 0.79 ALDH1A1 (0.32) ALDH1A1CYP2C9HPGDHSD17B10
SCHEMBL346186 0.77 ALDH1A1 (0.46) ALDH1A1CYP2C9HPGDHSD17B10MEN1
SCHEMBL31066753 0.77 ALDH1A1 (0.32) ALDH1A1CYP2C9HPGDHSD17B10
SCHEMBL2499563 0.74
SCHEMBL19004149 0.72 MEN1 (0.42) ALDH1A1HSD17B10MEN1POLBKMT2A
SCHEMBL16853726 0.72 MEN1 (0.37) ALDH1A1CYP2C9HPGDHSD17B10MEN1

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-20230235471-A1 Polyalkanolamines BASF SE (DE) 2023-07-27 US disclosed