SCHEMBL9808440

SCHEMBL9808440

CC(C)(C1CCCCC1)C1(O)CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.33
GAA P10253 1/20 0.31

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
SCHEMBL17511762 0.77 TRPA1 (0.31) GAA
SCHEMBL22461902 0.75 TRPA1 (0.32)
SCHEMBL3000334 0.71
SCHEMBL1463703 0.71 ALDH1A1 (0.31)
SCHEMBL15187736 0.69 OPRM1 (0.35)
SCHEMBL595093 0.69 ALDH1A1 (0.33)
SCHEMBL176374 0.69 ALDH1A1 (0.33)
SCHEMBL579902 0.69 OPRM1 (0.35)
SCHEMBL2907552 0.68
Potassium SCHEMBL9297432 0.67 OPRM1 (0.34)

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-0269568-B1 POLYMERISABLE COMPOSITIONS CIBA-GEIGY AG (CH) 1991-05-15 EP disclosed
US-4966923-A CONTAINING (METH)ALKYL SUBSTITUTED BICYCLO(2.2.1)HEP-5-ENE-2,3-DICARBOXYLIC ACID IMIDE AND ACRYLATED ESTER CIBA-GEIGY CORPORATION (US) 1990-10-30 US disclosed
EP-0269568-A2 Polymerisable compositions CIBA-GEIGY AG (CH) 1988-06-01 EP disclosed