SCHEMBL12345504

SCHEMBL12345504

CC1CCC(C2CCC(C3CCCCC3)C(F)C2F)CC1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.32
▸ ALDH1A1 P00352 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
SCHEMBL10313575 0.98 ALDH1A1 (0.35) EPHX1ALDH1A1
SCHEMBL14020193 0.98 ALDH1A1 (0.35) EPHX1ALDH1A1
SCHEMBL13142629 0.98 EPHX1 (0.31) EPHX1
SCHEMBL10048541 0.98 EPHX1 (0.31) EPHX1
SCHEMBL5967770 0.91 — —
SCHEMBL9972373 0.88 — —
SCHEMBL16258184 0.88 — —
SCHEMBL9926472 0.88 — —
SCHEMBL16072134 0.84 CA1 (0.31) —
SCHEMBL16071707 0.84 CA1 (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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3246377-A1 LIQUID-CRYSTAL MEDIUM Merck Patent GmbH (DE) 2017-11-22 — — EP disclosed
WO-2017178419-A1 COMPOSITION FOR NANOENCAPSULATION AND NANOCAPSULES COMPRISING A LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2017-10-19 — — WO disclosed
EP-2931838-B1 LIQUID-CRYSTAL DISPLAYS AND LIQUID-CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2017-08-16 — — EP disclosed
WO-2014094959-A1 LIQUID-CRYSTAL DISPLAYS AND LIQUID-CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2014-06-26 — — WO disclosed
EP-2176376-B1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2012-09-19 — — EP disclosed
EP-1808473-B1 Liquid crystal medium MERCK PATENT GMBH (DE) 2010-02-10 — — EP disclosed
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