SCHEMBL28444595

SCHEMBL28444595

NC(=O)CC(O)C(F)(F)F.NCCC(O)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.43
GABRR1 P24046 2/20 0.30

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
SCHEMBL15415836 0.87 CETP (0.48) CETP
SCHEMBL5181554 0.82
Hydrochloric Acid SCHEMBL12984147 0.80 CETP (0.57) CETP
SCHEMBL6022350 0.74 CETP (0.44) CETP
SCHEMBL3361095 0.69
SCHEMBL10335654 0.68 CETP (0.46) CETP
SCHEMBL10335801 0.68 CETP (0.46) CETP
SCHEMBL10335818 0.68 CETP (0.46) CETP
SCHEMBL3378767 0.67 PGD (0.34) GABRR1
SCHEMBL6230212 0.67 CETP (0.56) CETP

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-111448198-A Condensed heterocyclic derivatives as Bcl-2 inhibitors for the treatment of neonatal diseases 新波制药有限公司 2020-07-24 CN disclosed