SCHEMBL7040249

SCHEMBL7040249

CCCC1CCC([C@H]2CC[C@H](c3ccc(OCC)c(F)c3F)CO2)CC1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
CYP2C9 P11712 1/20 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
SCHEMBL30492735 1.00 ALDH1A1 (0.31) ALDH1A1MAPTHTTCYP2C9
SCHEMBL7040251 1.00 ALDH1A1 (0.31) ALDH1A1MAPTHTTCYP2C9
SCHEMBL7040257 1.00 ALDH1A1 (0.31) ALDH1A1MAPTHTTCYP2C9
SCHEMBL22277431 0.99 ALDH1A1 (0.30) ALDH1A1MAPTHTTCYP2C9
SCHEMBL9898824 0.99 ALDH1A1 (0.30) ALDH1A1MAPTHTTCYP2C9
SCHEMBL9927500 0.99 ALDH1A1 (0.30) ALDH1A1MAPTHTTCYP2C9
SCHEMBL9927528 0.98
SCHEMBL9927654 0.97
SCHEMBL9979006 0.96 FPR2 (0.33)
SCHEMBL22277424 0.94

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
CN-116283869-A Preparation method of tetrahydropyran ring negative liquid crystal monomer 西安彩晶光电科技股份有限公司 2023-06-23 CN disclosed
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