SCHEMBL11045567

SCHEMBL11045567

C=C(CP(=O)(OC)OC)CP(=O)(OC)OC

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.46
PGK2 P07205 1/20 0.46

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
SCHEMBL27690196 0.77 LMNA (0.31)
SCHEMBL28490986 0.75 TET2 (0.34)
SCHEMBL11042103 0.74 POLB (0.34)
SCHEMBL11785937 0.74 TSHR (0.52) PGK1PGK2
SCHEMBL10334499 0.74 ALDH1A1 (0.32)
SCHEMBL8196995 0.74 ALDH1A1 (0.41)
SCHEMBL51192 0.72 LMNA (0.46)
SCHEMBL107333 0.72 MGAM (0.38)
SCHEMBL19400765 0.70
SCHEMBL8563170 0.70 ALDH1A1 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0065319-B1 PROCESS FOR THE PREPARATION OF AN UNSATURATED MACROCYCLIC KETONE FIRMENICH SA (CH) 1984-10-17 EP disclosed
US-4346023-A FLAVORS, PERFUMES FIRMENICH SA (CH) 1982-08-24 US disclosed
US-4302607-A CYCLOPENTADECANONES FIRMENICH SA (CH) 1981-11-24 US disclosed
EP-0015412-A2 Unsaturated macrocyclic ketones; their preparation; preparation of saturated macrocyclic ketones; application in perfume and flavour compositions of some unsaturated macrocyclic ketones FIRMENICH SA (CH) 1980-09-17 EP disclosed