SCHEMBL16071990

SCHEMBL16071990

CCCCC1CCC(CCC2CCC(C3CCC(C4CCC(CC)CC4)C(F)[C@H]3F)CC2)CC1F

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 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
SCHEMBL16072203 1.00 CYP1A2 (0.31) CYP1A2
SCHEMBL16072189 1.00 CYP1A2 (0.31) CYP1A2
SCHEMBL16071890 0.96 CYP1A2 (0.33) CYP1A2
SCHEMBL16072269 0.96 CYP1A2 (0.33) CYP1A2
SCHEMBL16072259 0.93 CYP1A2 (0.32) CYP1A2
SCHEMBL16072187 0.92
SCHEMBL16072242 0.92
SCHEMBL16071885 0.90
SCHEMBL16071894 0.90
SCHEMBL16072370 0.90

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2305627-B1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2014-09-17 EP disclosed