SCHEMBL28797346

SCHEMBL28797346

CC1CC(N)CC(C)(C)C1.N=C=O.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
SCHEMBL28517272 0.87 ALDH1A1 (0.34) ALDH1A1
SCHEMBL931952 0.87 ALDH1A1 (0.34) ALDH1A1
SCHEMBL18424512 0.87 ALDH1A1 (0.34) ALDH1A1
SCHEMBL1876458 0.85 ALDH1A1 (0.37) ALDH1A1
Hydrochloric Acid SCHEMBL20378075 0.85 ALDH1A1 (0.33) ALDH1A1
Methylamine SCHEMBL2503610 0.85 ALDH1A1 (0.33) ALDH1A1
Hydrochloric Acid SCHEMBL17010036 0.85 ALDH1A1 (0.33) ALDH1A1
SCHEMBL10795697 0.85 ALDH1A1 (0.37) ALDH1A1
SCHEMBL20381165 0.83 ALDH1A1 (0.33) ALDH1A1
Methane SCHEMBL9510260 0.83 ALDH1A1 (0.33) 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-114829442-A Polyurea copolymers 巴斯夫欧洲公司 2022-07-29 CN disclosed