SCHEMBL29220076

SCHEMBL29220076

O=C=NCC1CC(C2CCCCC2)CCC1C1CCCCC1

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
SCHEMBL29134069 0.82 ALDH1A1 (0.34) ALDH1A1
SCHEMBL16266139 0.82 ALDH1A1 (0.37) ALDH1A1
SCHEMBL14763547 0.79 CYP1A2 (0.35) ALDH1A1
SCHEMBL19021594 0.79
SCHEMBL2330759 0.76
SCHEMBL29764202 0.75
SCHEMBL19041487 0.73
SCHEMBL302555 0.71 ALDH1A1 (0.39) ALDH1A1
SCHEMBL1900904 0.71
SCHEMBL1901687 0.71

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
CN-118108919-A Polyurethane foam emission reducing additives 李尔公司 2024-05-31 CN disclosed