SCHEMBL29799

SCHEMBL29799

CC1=C(F)CC(C)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
SCHEMBL19316030 1.00
SCHEMBL19316036 1.00
SCHEMBL21841979 0.82 NOS3 (0.33)
SCHEMBL13666048 0.79
SCHEMBL21577549 0.77 CYP2A6 (0.32)
SCHEMBL19262463 0.76
SCHEMBL6953993 0.76
SCHEMBL17111369 0.76
SCHEMBL2689388 0.76
SCHEMBL19882296 0.73

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 1117 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043782-B2 Liquid crystalline medium MERCK PATENT GMBH (DE) 2024-07-23 US disclosed
US-12043782-B2 Liquid crystalline medium MERCK PATENT GMBH (DE) 2024-07-23 US disclosed
EP-4400561-A1 LIQUID-CRYSTAL MEDIUM Merck Patent GmbH (DE) 2024-07-17 EP disclosed
WO-2024133363-A1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2024-06-27 WO disclosed
WO-2024132893-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2024-06-27 WO disclosed
WO-2024126567-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2024-06-20 WO disclosed
US-20240072425-A1 AROMATIC ISOTHIOCYANATES MERCK PATENT GMBH (DE) 2024-02-29 US disclosed
US-20240072425-A1 AROMATIC ISOTHIOCYANATES MERCK PATENT GMBH (DE) 2024-02-29 US disclosed
US-20240067879-A1 Liquid-crystal medium MERCK PATENT GMBH (DE) 2024-02-29 US disclosed
US-20240067879-A1 Liquid-crystal medium MERCK PATENT GMBH (DE) 2024-02-29 US disclosed
US-7291367-B2 Liquid-crystalline compounds MERCK PATENT GMBH (DE) 2007-11-06 US disclosed
US-7291367-B2 Liquid-crystalline compounds MERCK PATENT GMBH (DE) 2007-11-06 US disclosed
US-20070247585-A1 Hexahydrodibenzofuran derivatives MERCK PATENT GMBH 2007-10-25 US disclosed
US-20070247585-A1 Hexahydrodibenzofuran derivatives MERCK PATENT GMBH 2007-10-25 US disclosed
EP-1565540-B1 LIQUID CRYSTALLINE COMPOUNDS MERCK PATENT GMBH (DE) 2007-09-26 EP disclosed
US-7189440-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2007-03-13 US disclosed
US-7189440-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2007-03-13 US disclosed
WO-2007009636-A1 S-INDACENE AND INDENO[5,6-D][1,3]DIOXOL-DERIVATIVES AND USE THEREOF AS COMPONENTS OF LIQUID-CRYSTAL MIXTURES MERCK PATENT GMBH (DE) 2007-01-25 WO disclosed
US-7157124-B2 Polymerizable compounds and their polymers CHISSO PETROCHEMICAL CORPORATION (JP) 2007-01-02 US disclosed
US-7157124-B2 Polymerizable compounds and their polymers CHISSO PETROCHEMICAL CORPORATION (JP) 2007-01-02 US disclosed