SCHEMBL6701887

SCHEMBL6701887

C=CC/N=C(/C(C)C)N(C)C

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 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
SCHEMBL6701890 1.00 ALDH1A1 (0.32) ALDH1A1
SCHEMBL10930795 0.72 ALDH1A1 (0.35) ALDH1A1
SCHEMBL1479710 0.70
SCHEMBL1479711 0.70
SCHEMBL23326064 0.68
SCHEMBL26456569 0.68
SCHEMBL23710692 0.68 ALDH1A1 (0.31) ALDH1A1
SCHEMBL6697335 0.67 MEN1 (0.33) ALDH1A1
SCHEMBL6697332 0.67 MEN1 (0.33) ALDH1A1
SCHEMBL21677401 0.66

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-20040242817-A1 Internally coordinated organoboranes LORD CORPORATION 2004-12-02 US disclosed