SCHEMBL22277290

SCHEMBL22277290

CCCCCC1CCC(C2CCC(C3CCC(OCc4ccc(OCC)c(F)c4F)CC3)CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.36
HTR1A P08908 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
SCHEMBL22277636 0.92 NAAA (0.38) NAAAHTR1A
SCHEMBL12736597 0.89 NAAA (0.34) NAAAHTR1A
SCHEMBL12740206 0.89 NAAA (0.34) NAAAHTR1A
SCHEMBL12759440 0.88 NAAA (0.32) NAAA
SCHEMBL12759426 0.88 NAAA (0.32) NAAA
SCHEMBL9399028 0.87 CNR2 (0.35)
SCHEMBL22277554 0.87 CNR2 (0.31)
SCHEMBL3437342 0.87 CNR2 (0.31)
SCHEMBL9399033 0.87 CNR2 (0.35)
SCHEMBL9399040 0.87 CNR2 (0.35)

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
US-20200239775-A1 TETRACYCLIC LIQUID CRYSTAL COMPOUND HAVING DIATOMIC BONDING GROUP AND 2,3-DIFLUOROPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2020-07-30 US disclosed