SCHEMBL11211027

SCHEMBL11211027

CC1(C)CC1C=C(Br)Br.O=C(O)Cl

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.32

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
SCHEMBL10553020 0.96 APLNR (0.30) APLNR
Bicarbonate SCHEMBL9621896 0.91 APLNR (0.34) APLNR
Bicarbonate SCHEMBL10343316 0.91 APLNR (0.34) APLNR
Bicarbonate SCHEMBL10923102 0.91 APLNR (0.34) APLNR
SCHEMBL7621711 0.87
SCHEMBL1487259 0.87
SCHEMBL10347476 0.85 APLNR (0.36) APLNR
SCHEMBL11503303 0.81 APLNR (0.33) APLNR
Bicarbonate SCHEMBL9162957 0.80 APLNR (0.36) APLNR
Bicarbonate SCHEMBL5713176 0.80 APLNR (0.36) APLNR

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
EP-0022972-B1 MENTHYL ESTERS, PROCESS FOR THEIR PREPARATION AND THEIR USE IN ENANTIOMER SEPARATION OF CHIRAL CARBOXYLIC ACIDS BAYER AG (DE) 1983-01-26 EP disclosed
EP-0022972-A1 Menthyl esters, process for their preparation and their use in enantiomer separation of chiral carboxylic acids BAYER AG (DE) 1981-01-28 EP disclosed
EP-0001064-A2 Fluorosubstituted phenoxybenzyl-oxycarbonylderivatives, -alcohols and -halides, processes for their preparation and their application BAYER AG (DE) 1979-03-21 EP disclosed