SCHEMBL1237694

SCHEMBL1237694

CC1=CC(C)=CC[CH]1

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
SCHEMBL1706184 0.83
SCHEMBL7862391 0.75
SCHEMBL4227514 0.75
SCHEMBL2549364 0.75
SCHEMBL2545284 0.75
SCHEMBL4780903 0.75
SCHEMBL18795323 0.73
SCHEMBL5258028 0.71
SCHEMBL14734691 0.69
SCHEMBL5698918 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114989052-A Guaiazuo thioether compound and preparation method thereof 苏州大学 2022-09-02 CN claimed
WO-2021215402-A1 FILM AND METHOD FOR MANUFACTURING SAME AGC株式会社 (JP) 2021-10-28 WO disclosed
US-10227317-B2 Process for the preparation of vortioxetine LUPIN LIMITED (IN) 2019-03-12 US disclosed
US-20180030008-A1 PROCESS FOR THE PREPARATION OF VORTIOXETINE LUPIN LIMITED (IN) 2018-02-01 US disclosed
EP-3262031-A1 PROCESS FOR THE PREPARATION OF VORTIOXETINE Lupin Limited (IN) 2018-01-03 EP disclosed
EP-3247779-A1 PHOTOLABILE ACETAL AND KETAL COMPOUNDS FOR THE CONTROLLED RELEASE OF ACTIVE VOLATILE CARBONYL COMPOUNDS Firmenich SA (CH) 2017-11-29 EP disclosed
WO-2016135636-A1 PROCESS FOR THE PREPARATION OF VORTIOXETINE LUPIN LIMITED (IN) 2016-09-01 WO disclosed
WO-2016116420-A1 PHOTOLABILE ACETAL AND KETAL COMPOUNDS FOR THE CONTROLLED RELEASE OF ACTIVE VOLATILE CARBONYL COMPOUNDS FIRMENICH SA (CH) 2016-07-28 WO disclosed
WO-2014002109-A1 SUBSTITUTED TETRAZOLE COMPOUNDS AND PROCESS THEREOF RALLIS INDIA LIMITED (IN) 2014-01-03 WO disclosed
WO-2014002110-A1 SUBSTITUTUED PYRAZOLE COMPOUNDS AND PROCESS FOR PREPARATION THEREOF. RALLIS INDIA LIMITED (IN) 2014-01-03 WO disclosed
US-7253197-B2 Aminothiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed
EP-1776334-A1 USE OF DYNAMIC MIXTURES FOR A CONTROLLED RELEASE OF FRAGRANCES FIRMENICH SA (CH) 2007-04-25 EP disclosed
WO-2006016248-A1 USE OF DYNAMIC MIXTURES FOR A CONTROLLED RELEASE OF FRAGRANCES FIRMENICH SA (CH) 2006-02-16 WO disclosed
US-20050006246-A1 Nitrogen atom transfer YUDIN ANDREI K (CA) 2005-01-13 US disclosed
EP-1434819-A2 FLUORESCENT PIGMENT COMPOSITION Clariant Finance (BVI) Limited (VG) 2004-07-07 EP disclosed
WO-2003029340-A2 FLUORESCENT PIGMENT COMPOSITION CLARIANT INTERNATIONAL LTD. (CH) 2003-04-10 WO disclosed
EP-0570376-A1 A PROCESS FOR THE PRODUCTION OF CYCLIC SULFONIUM SALTS Ciba SC Holding AG (CH) 1993-11-24 EP disclosed
WO-1993009112-A1 A PROCESS FOR THE PRODUCTION OF CYCLIC SULFONIUM SALTS CIBA-GEIGY AG (CH) 1993-05-13 WO disclosed
EP-0500639-A1 PROCESS FOR THE PRODUCTION OF ALKYL-(3-CHLOROPHENYL) SULPHONES. HOECHST AG (DE) 1992-09-02 EP disclosed
WO-1991007384-A1 PROCESS FOR THE PRODUCTION OF ALKYL-(3-CHLOROPHENYL) SULPHONES HOECHST AKTIENGESELLSCHAFT (DE) 1991-05-30 WO disclosed