SCHEMBL28865799

SCHEMBL28865799

CN(C)C(=O)CC(C)(C)[C]=O.C[C]=O

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
SCHEMBL5263794 0.96 ALDH1A1 (0.34) ALDH1A1
SCHEMBL2884315 0.74 LMNA (0.43)
SCHEMBL28782849 0.72 ALDH1A1 (0.35) ALDH1A1
SCHEMBL28147585 0.71 ALDH1A1 (0.42) ALDH1A1
SCHEMBL680882 0.71 ALDH1A1 (0.40) ALDH1A1
SCHEMBL7346515 0.69
SCHEMBL5174067 0.69 ALDH1A1 (0.39) ALDH1A1
SCHEMBL14159859 0.69 ALDH1A1 (0.39) ALDH1A1
SCHEMBL116713 0.69
SCHEMBL10937923 0.68 KDM4E (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
CN-103946299-B Rubber composition and pneumatic tire 住友橡胶工业株式会社 2018-10-09 CN disclosed