SCHEMBL7042562

SCHEMBL7042562

CCC[C@H]1CC[C@H](C2CCC(c3ccc(OCC)c(F)c3F)C(O)O2)CC1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 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
SCHEMBL7042559 1.00 S1PR1 (0.30) S1PR1
SCHEMBL7042561 1.00 S1PR1 (0.30) S1PR1
SCHEMBL9898351 0.99
SCHEMBL9898765 0.96 S1PR1 (0.32) S1PR1
SCHEMBL17068421 0.83
SCHEMBL15329944 0.83 NPY2R (0.33)
SCHEMBL15339935 0.82 NPY2R (0.33)
SCHEMBL17068419 0.82 SLC6A2 (0.36)
SCHEMBL12920704 0.81
SCHEMBL9899501 0.79

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-0967261-B1 Liquid crystal compound having negative dielectric anisotropy, liquid crystal composition containing said liquid crystal compound and liquid crystal display device using said composition CHISSO CORP (JP) 2003-04-02 EP disclosed
EP-0967261-A1 Liquid crystal compound having negative dielectric anisotropy, liquid crystal composition containing said liquid crystal compound and liquid crystal display device using said composition Chisso Corporation (JP) 1999-12-29 EP disclosed