SCHEMBL26333361

SCHEMBL26333361

NC1CCCCS(=O)(=O)CC1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 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
SCHEMBL14275851 0.92
SCHEMBL967530 0.87
Hydrochloric Acid SCHEMBL927626 0.84 ALDH1A1 (0.33)
SCHEMBL14275848 0.80 GAA (0.31) THRBMEN1KMT2A
SCHEMBL24335384 0.72
SCHEMBL24335171 0.72
SCHEMBL14275690 0.72
Hydrazine SCHEMBL28088127 0.71
SCHEMBL14301 0.71
SCHEMBL14665759 0.71 THRB (0.54) THRBMEN1KMT2A

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
EP-4248960-A2 NOVEL TRITERPENE DERIVATIVES AS HIV INHIBITORS Hetero Labs Limited (IN) 2023-09-27 EP disclosed