SCHEMBL28628754

SCHEMBL28628754

NC1(CO)CCOCC1.O=CN1C=CN(C=O)C=C1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL28966036 0.98 ALDH1A1 (0.30) ALDH1A1
SCHEMBL1350960 0.79
SCHEMBL28641573 0.76 NSD2 (0.31)
SCHEMBL28621937 0.75 NSD2 (0.31)
SCHEMBL21505987 0.71 ALDH1A1 (0.30) ALDH1A1
Hydrochloric Acid SCHEMBL19745487 0.70
Trifluoroacetic Acid SCHEMBL20605493 0.68 L3MBTL1 (0.31)
SCHEMBL5111205 0.67
SCHEMBL24478146 0.66
SCHEMBL1444685 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113429556-B Catalyst for synthesizing biocompatible material by carbon dioxide-epoxy compound copolymerization 郑州大学第一附属医院 2023-03-10 CN disclosed
CN-113429556-A Catalyst for synthesizing biocompatible material by carbon dioxide-epoxy compound copolymerization 郑州大学第一附属医院 2021-09-24 CN disclosed