SCHEMBL9613616

SCHEMBL9613616

CC1CCC(C2CCC(C(F)(F)F)CC2)CC1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL21638056 1.00
SCHEMBL436504 0.92 NOS3 (0.30)
SCHEMBL254857 0.92 NOS3 (0.30)
SCHEMBL436177 0.92 NOS3 (0.30)
SCHEMBL15323288 0.86 NOS3 (0.32)
SCHEMBL23432355 0.82
SCHEMBL13892778 0.82
SCHEMBL13767601 0.80
SCHEMBL999487 0.78 EPHX1 (0.32)
SCHEMBL13480367 0.78 LIPA (0.32)

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11732153-B2 Coating liquid composition and process for producing article provided with film using it AGC Inc. (JP) 2023-08-22 US disclosed
EP-3359625-B1 CHIRAL COMPOUNDS MERCK PATENT GMBH (DE) 2019-10-23 EP disclosed
EP-2635274-B1 ANTI-STAPHYLOCOCCAL CELECOXIB DERIVATIVES UNIV OHIO STATE RES FOUND (US) 2017-12-06 EP disclosed
WO-2017059942-A1 CHIRAL COMPOUNDS MERCK PATENT GMBH (DE) 2017-04-13 WO disclosed
US-20150284636-A1 LIQUID-CRYSTALLINE MEDIUM AND ELECTRO-OPTICAL LIQUID-CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2015-10-08 US disclosed
US-8715527-B2 Liquid-crystal medium MERCK PATENT GMBH (DE) 2014-05-06 US disclosed
EP-2594270-A2 The use of sGC stimulators, sGC activators, alone and combinations with PDE5 inhibitors for the treatment of systemic sclerosis (SSc) BIP Patents (DE) 2013-05-22 EP disclosed
EP-2457975-A2 Liquid-crystalline mixtures Merck Patent GmbH (DE) 2012-05-30 EP disclosed
US-20110042615-A1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-02-24 US disclosed
US-7704566-B2 Liquid crystalline medium MERCK PATENT GMBH (DE) 2010-04-27 US disclosed
US-7303791-B2 Liquid crystals having a terminal polar radical and a terminal CH3 group and simultaneously having very high specific resistances and low threshold voltages requiring a high clearing point and low rotational viscosity; matrices MERCK PATENT GMBH (DE) 2007-12-04 US disclosed
US-20070269614-A1 Containing at least two nitrile-free mesogenic compounds, one of which contains rings including a phenyl ring llinked by at least one -CF2O- group; electrooptical dispalys HECKMEIER MICHAEL 2007-11-22 US disclosed
US-7291367-B2 Liquid-crystalline compounds MERCK PATENT GMBH (DE) 2007-11-06 US disclosed
US-20070237907-A1 PHOTOSTABLE LIQUID-CRYSTALLINE MEDIUM MANABE ATSUTAKA 2007-10-11 US disclosed
US-7250198-B2 For electrooptical display MERCK PATENT GMBH (DE) 2007-07-31 US disclosed
EP-1411104-B1 Liquid crystalline compounds with a -CHFO- bridge MERCK PATENT GMBH (DE) 2007-05-16 EP disclosed
US-7211302-B2 Photostable liquid crystalline medium MERCK PATENT GMBH (DE) 2007-05-01 US disclosed
US-7189440-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2007-03-13 US disclosed
US-7179511-B2 For use in electro-optical displays MERCK PATENT GMBH (DE) 2007-02-20 US disclosed
US-20070001149-A1 Liquid-crystal medium containing monofluoroterphenyl compounds MERCK PATENT GMBH (DE) 2007-01-04 US disclosed