SCHEMBL9686358

SCHEMBL9686358

CC(C)NC(C)(O)NC(C)C

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
CYP2C19 P33261 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
SCHEMBL278619 0.79
SCHEMBL24208209 0.79 ALDH1A1 (0.33) ALDH1A1CYP2C19
SCHEMBL9411608 0.79
SCHEMBL24630316 0.73 ALDH1A1 (0.30) ALDH1A1CYP2C19
SCHEMBL3957282 0.73 ALDH1A1 (0.30) ALDH1A1CYP2C19
SCHEMBL104329 0.69
SCHEMBL23061698 0.69 TDP1 (0.33)
SCHEMBL3361835 0.69
SCHEMBL24135057 0.69 GAA (0.33) ALDH1A1
SCHEMBL29249247 0.67

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103119029-B Novel compositions and methods for producing triazine-arylhydroxy-aldehyde condensates with improved solubility 瀚森公司 2019-04-02 CN disclosed
US-5084202-A ISOCYANATE PREPOLYMERS AND SECONDARY AMINES FROM DISECONDARY AMINES AND ALKYL DIISOCYANATES TEXACO CHEMICAL COMPANY (US) 1992-01-28 US disclosed
EP-0408211-A1 Novel isocyanate prepolymers and secondary amines from disecondary amines and alkyl diisocyanates TEXACO CHEMICAL COMPANY (US) 1991-01-16 EP disclosed