SCHEMBL11564267

SCHEMBL11564267

O=C=NC1CCCC(N=C=O)(N=C=O)C1(N=C=O)N=C=O

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL16701152 0.79 ALDH1A1 (0.31) ALDH1A1
SCHEMBL7553832 0.72 ALDH1A1 (0.34) ALDH1A1
SCHEMBL2728355 0.69 ALDH1A1 (0.40) ALDH1A1
SCHEMBL7103603 0.69 ALDH1A1 (0.32) ALDH1A1
SCHEMBL9134637 0.69 ALDH1A1 (0.32) ALDH1A1
SCHEMBL19859474 0.67 ALDH1A1 (0.37) ALDH1A1
SCHEMBL43172 0.67 ALDH1A1 (0.38) ALDH1A1
SCHEMBL1890237 0.66 ALDH1A1 (0.36) ALDH1A1
Cyclohexane SCHEMBL6060871 0.66 ALDH1A1 (0.41) ALDH1A1
SCHEMBL5846735 0.65 ALDH1A1 (0.36) 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-4158672-A OIL AND WATER REPELLENTS FOR TEXTILES CIBA-GEIGY CORPORATION (US) 1979-06-19 US disclosed