SCHEMBL25870325

SCHEMBL25870325

C[C@@]1(N)CCCC2CCC2C1

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 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
SCHEMBL19350525 0.85 ALDH1A1 (0.39) ALDH1A1TDP1
SCHEMBL20246102 0.84 ALDH1A1 (0.31) ALDH1A1TDP1
SCHEMBL24404137 0.79 ALDH1A1 (0.39) ALDH1A1TDP1
SCHEMBL19262991 0.73
SCHEMBL466087 0.73
SCHEMBL239833 0.73
SCHEMBL660884 0.73
SCHEMBL14829622 0.73
SCHEMBL11695816 0.73
SCHEMBL225338 0.73

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
WO-2023135833-A1 DEFECT DETECTING DEVICE, AND DEFECT DETECTING METHOD 日本製鉄株式会社 2023-07-20 WO disclosed