SCHEMBL14877911

SCHEMBL14877911

O=C(OC1COC2C(OC(=O)c3ccc(F)cc3)COC12)c1ccc(O)cc1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 17/20 0.59
▸ HSP90AB1 P08238 1/20 0.44
▸ PTPN1 P18031 1/20 0.43
▸ HSP90AA1 P07900 1/20 0.40
▸ CES2 O00748 1/20 0.39

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
SCHEMBL12702984 0.92 BCHE (0.66) BCHEPTPN1HSP90AA1
SCHEMBL9946847 0.92 BCHE (0.66) BCHEPTPN1HSP90AA1
SCHEMBL7530640 0.92 BCHE (0.66) BCHEPTPN1HSP90AA1
SCHEMBL18306889 0.92 BCHE (0.66) BCHEPTPN1HSP90AA1
SCHEMBL13367641 0.92 BCHE (0.66) BCHEPTPN1HSP90AA1
SCHEMBL12411417 0.92 BCHE (0.66) BCHEPTPN1HSP90AA1
SCHEMBL12411448 0.88 BCHE (0.62) BCHEPTPN1HSP90AA1
SCHEMBL14877870 0.86 BCHE (0.55) BCHEHSP90AB1PTPN1CES2
SCHEMBL12411488 0.85 BCHE (0.59) BCHEPTPN1HSP90AA1
SCHEMBL12942000 0.85 BCHE (0.59) BCHEPTPN1HSP90AA1

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-9057018-B2 Polymerizable liquid crystal compound, polymerizable liquid crystal composition, and polymer thereof JNC CORPORATION (JP) 2015-06-16 — — US disclosed
US-8425988-B2 Polymerizable liquid crystal compound, polymerizable liquid crystal composition and anisotropic polymer JNC CORPORATION (JP) 2013-04-23 — — US disclosed
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