SCHEMBL9751900

SCHEMBL9751900

CCCO[C@]1(CCC)CC[C@@H](C2CCCCC2)CC1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 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
SCHEMBL6335764 1.00 ADH1A (0.30) ADH1A
SCHEMBL7907353 1.00 ADH1A (0.30) ADH1A
SCHEMBL9759411 0.87
SCHEMBL8412408 0.87
SCHEMBL8412712 0.81 ALDH1A1 (0.31)
SCHEMBL8412713 0.81 ALDH1A1 (0.31)
SCHEMBL9758761 0.81 ALDH1A1 (0.31)
SCHEMBL21160683 0.78 TSHR (0.32)
SCHEMBL4719090 0.78 CYP1A2 (0.30)
SCHEMBL4719089 0.78 CYP1A2 (0.30)

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-0445274-A1 LIQUID CRYSTALLINE MEDIUM. MERCK PATENT GMBH (DE) 1991-09-11 EP disclosed
EP-0366985-A1 Super twist liquid crystal display MERCK PATENT GmbH (DE) 1990-05-09 EP disclosed