SCHEMBL5711883

SCHEMBL5711883

CCCC1CCC(OCC2(CCC)CCCCC2)CC1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.32

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
SCHEMBL29273684 0.88 CYP1A2 (0.32) CYP1A2
SCHEMBL11260092 0.84
SCHEMBL29273690 0.80 CYP1A2 (0.37) CYP1A2
SCHEMBL29273686 0.79 CYP1A2 (0.39) CYP1A2
SCHEMBL29273692 0.79 CYP1A2 (0.36) CYP1A2
SCHEMBL8835658 0.79
SCHEMBL29273696 0.74 CYP1A2 (0.39) CYP1A2
SCHEMBL29273691 0.74 CYP1A2 (0.39) CYP1A2
SCHEMBL25462273 0.71 CYP1A2 (0.36) CYP1A2
SCHEMBL19407072 0.71 CYP1A2 (0.36) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1518851-B1 Process for the preparation of liquid crystalline ethers AZ ELECTRONIC MATERIALS D GMBH (DE) 2006-11-22 EP disclosed
EP-1518851-A1 Process for the preparation of liquid crystalline ethers CLARIANT INTERNATIONAL LTD. (CH) 2005-03-30 EP disclosed