SCHEMBL234113

SCHEMBL234113

CN(C)C(=O)C1=CC=CCC1=S

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
SCHEMBL182009 0.79
SCHEMBL262994 0.78 PYGM (0.35)
SCHEMBL3622646 0.78
SCHEMBL7141745 0.78
SCHEMBL11029531 0.77 HDAC2 (0.31)
SCHEMBL936174 0.76
SCHEMBL7411108 0.76
SCHEMBL3328286 0.76
SCHEMBL15363888 0.74
SCHEMBL12609413 0.74

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414308-A1 RADIOLABELLING METHODS Hammersmith Imanet, Ltd (GB) 2012-02-08 EP disclosed
US-20120004404-A1 RADIOLABELLING METHODS HAMMERSMITH IMANET LIMITED (GB) 2012-01-05 US disclosed
WO-2010117557-A1 RADIOLABELLING METHODS HAMMERSMITH IMANET LIMITED (GB) 2010-10-14 WO disclosed
US-7041851-B2 Fluorinated phenyl thiophenyl derivatives and their use for imaging serotonin transporters THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2006-05-09 US disclosed
EP-1175388-B1 SPECT IMAGING AGENTS FOR SEROTONIN TRANSPORTERS UNIV PENNSYLVANIA (US) 2006-03-15 EP disclosed
US-6921840-B1 SPECT imaging agents for serotonin transporters THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2005-07-26 US disclosed
US-20030236234-A1 Fluorinated phenyl thiophenyl derivatives and their use for imaging serotonin transporters NATIONAL INSTITUTES OF HEALTH-DIRECTOR DEITR 2003-12-25 US disclosed
WO-2003078393-A2 FLUORINATED PHENYL THIOPHENYL DERIVATIVES AND THEIR USE FOR IMAGING SEROTONIN TRANSPORTERS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2003-09-25 WO disclosed
EP-1175388-A4 SPECT IMAGING AGENTS FOR SEROTONIN TRANSPORTERS UNIV PENNSYLVANIA (US) 2003-06-18 EP disclosed
EP-1175388-A1 SPECT IMAGING AGENTS FOR SEROTONIN TRANSPORTERS TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2002-01-30 EP disclosed
WO-2000066537-A1 SPECT IMAGING AGENTS FOR SEROTONIN TRANSPORTERS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2000-11-09 WO disclosed
WO-1993012080-A1 SUBSTITUTED DIPHENYLSULFIDES AS SEROTONIN UPTAKE INHIBITORS THE WELLCOME FOUNDATION LIMITED (GB) 1993-06-24 WO disclosed
US-5216028-A Therapeutic uses of a diphenylsulfide compound to treat depression and effect serotonin uptake BURROUGHS WELLCOME CO. (US) 1993-06-01 US disclosed
US-5104897-A Administering anxiolytic agents BURROUGHS WELLCOME CO. (US) 1992-04-14 US disclosed
US-5095039-A Antidepressants BURROUGHS WELLCOME CO. (US) 1992-03-10 US disclosed
EP-0402097-A1 Halogen substituted diphenylsulfides THE WELLCOME FOUNDATION LIMITED (GB) 1990-12-12 EP disclosed