SCHEMBL8999836

SCHEMBL8999836

CCCCCCCCCCCCCCCC1CCOC1=O

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.54

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
SCHEMBL27636329 1.00 CYP1A2 (0.54) CYP1A2
SCHEMBL31421622 1.00 CYP1A2 (0.54) CYP1A2
SCHEMBL663700 1.00 CYP1A2 (0.54) CYP1A2
SCHEMBL28370477 1.00 CYP1A2 (0.54) CYP1A2
SCHEMBL11392390 1.00 CYP1A2 (0.54) CYP1A2
SCHEMBL8999815 1.00 CYP1A2 (0.54) CYP1A2
SCHEMBL12254212 1.00 CYP1A2 (0.54) CYP1A2
SCHEMBL665388 1.00 CYP1A2 (0.54) CYP1A2
SCHEMBL1986603 1.00 CYP1A2 (0.54) CYP1A2
SCHEMBL1759484 0.98 CYP1A2 (0.56) CYP1A2

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-0341773-B1 Process for the preparation of lactones SHELL INT RESEARCH (NL) 1996-09-11 EP disclosed
US-4960906-A Process for the preparation of lactones from higher alkenols SHELL OIL COMPANY (US) 1990-10-02 US disclosed
EP-0341773-A1 Process for the preparation of lactones SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1989-11-15 EP disclosed