SCHEMBL18115192

SCHEMBL18115192

C=CCON1C(=O)N2C[C@H]1C(I)=CC2CO

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL19999293 1.00 ALDH1A1 (0.30) ALDH1A1
SCHEMBL18115194 1.00 ALDH1A1 (0.30) ALDH1A1
SCHEMBL18115196 1.00 ALDH1A1 (0.30) ALDH1A1
SCHEMBL18115190 1.00 ALDH1A1 (0.30) ALDH1A1
SCHEMBL19990127 1.00 ALDH1A1 (0.30) ALDH1A1
SCHEMBL19999284 0.87 ALDH1A1 (0.30) ALDH1A1
SCHEMBL15319801 0.86
SCHEMBL18115188 0.83
SCHEMBL15319884 0.83
SCHEMBL15322516 0.83

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
EP-3277686-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS Mutabilis (FR) 2018-02-07 EP disclosed
WO-2016156348-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS MUTABILIS (FR) 2016-10-06 WO disclosed