SCHEMBL11549283

SCHEMBL11549283

O=C1CCCC/C1=C1/C=CCCC1

nearest known ligand 0.46

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL11549286 1.00 ALDH1A1 (0.46) ALDH1A1
SCHEMBL23543956 0.85 ALDH1A1 (0.38) ALDH1A1
SCHEMBL25286701 0.85 ALDH1A1 (0.38) ALDH1A1
SCHEMBL1516177 0.78 ALDH1A1 (0.30) ALDH1A1
SCHEMBL7996503 0.77 ALDH1A1 (0.31) ALDH1A1
SCHEMBL28304044 0.76 ALDH1A1 (0.36) ALDH1A1
SCHEMBL6696358 0.74 ALDH1A1 (0.30) ALDH1A1
SCHEMBL5074864 0.72 ALDH1A1 (0.36) ALDH1A1
SCHEMBL3334082 0.70
SCHEMBL4619035 0.69 ALDH1A1 (0.48) 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
US-4173586-A Process for cleavage of unsaturated multi-cyclic ketones BADISCHE CORPORATION (US) 1979-11-06 US claimed