SCHEMBL11322264

SCHEMBL11322264

C=CCC1=C(C)C(O)CC1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 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
SCHEMBL11586275 1.00 OPRM1 (0.30) OPRM1
SCHEMBL11330403 1.00 OPRM1 (0.30) OPRM1
SCHEMBL4013979 0.74
SCHEMBL2473999 0.68
SCHEMBL861711 0.66 ALDH1A1 (0.30)
SCHEMBL8409114 0.65
SCHEMBL11784687 0.65
SCHEMBL8405455 0.65
SCHEMBL2696185 0.65 CYP3A4 (0.31)
SCHEMBL17293556 0.64

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-0004493-B1 ETHERS WHOSE ORGANIC MOIETIES HAVE ASYMMETRIC ATOMS, METHODS FOR THEIR PREPARATION AND THEIR USE FOR THE RESOLUTION OF ALCOHOLS, PHENOLS OR CERTAIN COMPOUNDS WITH A LACTONE STRUCTURE ROUSSEL-UCLAF (FR) 1981-05-06 EP claimed
EP-0004493-B1 ETHERS WHOSE ORGANIC MOIETIES HAVE ASYMMETRIC ATOMS, METHODS FOR THEIR PREPARATION AND THEIR USE FOR THE RESOLUTION OF ALCOHOLS, PHENOLS OR CERTAIN COMPOUNDS WITH A LACTONE STRUCTURE ROUSSEL-UCLAF (FR) 1981-05-06 EP disclosed
EP-0004493-A1 Ethers whose organic moieties have asymmetric atoms, methods for their preparation and their use for the resolution of alcohols, phenols or certain compounds with a lactone structure ROUSSEL-UCLAF (FR) 1979-10-03 EP disclosed