SCHEMBL21287328

SCHEMBL21287328

C=C(C)C(=O)OCCOc1ccc(-c2cc(-c3ccc(C4CCC(C5CCC(C)CC5)CC4)cc3F)cc(OCCOC(=O)C(=C)C)c2CCCCCO)cc1CCCO

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.33
CA1 P00915 1/20 0.31
CA2 P00918 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
SCHEMBL21287655 0.90 PPARD (0.33) CA1CA2
SCHEMBL21287776 0.88 FASN (0.37) FASN
SCHEMBL19624381 0.85 FASN (0.39) FASNCA1CA2
SCHEMBL21287324 0.85 PPARD (0.32)
SCHEMBL21287784 0.84 CYP3A4 (0.33)
SCHEMBL21287659 0.83 MMP2 (0.33) CA1CA2
SCHEMBL19804705 0.82 CYP3A4 (0.39) FASNCA1CA2
SCHEMBL19804747 0.81 FFAR4 (0.36) FASNCA1CA2
SCHEMBL19624378 0.81 FASN (0.40) FASNCA1CA2
SCHEMBL23861747 0.80 MMP1 (0.31)

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
US-11130911-B2 Liquid crystal compound and liquid crystal composition SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIAL CO., LTD. (CN) 2021-09-28 US disclosed
US-20190256772-A1 LIQUID CRYSTAL COMPOUND AND LIQUID CRYSTAL COMPOSITION SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIAL CO., LTD. (CN) 2019-08-22 US disclosed