SCHEMBL5533547

SCHEMBL5533547

C[S@+]([O-])C(C)(C)C

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
SCHEMBL514440 1.00
SCHEMBL13716823 1.00
Fluoride SCHEMBL778559 0.95
SCHEMBL6912238 0.76
SCHEMBL23899535 0.73
SCHEMBL18710248 0.73
SCHEMBL5687715 0.73
SCHEMBL14349892 0.70
SCHEMBL516140 0.70
SCHEMBL776440 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219890-A1 BICYCLIC COMPOUNDS AND USE THEREOF BETTA PHARMACEUTICALS CO LTD (CN) 2023-07-13 US disclosed
US-20170253580-A1 ORGANIC REACTIONS THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2017-09-07 US disclosed
WO-2017124087-A1 ANTI-PARASITIC COMPOUNDS AND USES THEREOF MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2017-07-20 WO disclosed
US-9365588-B2 Benzoxazines as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-06-14 US disclosed
WO-2016014426-A1 ORGANIC REACTIONS THE ARIZONA BOARD OF REGENTS (US) 2016-01-28 WO disclosed
US-9163011-B2 Oxazine derivatives and their use in the treatment of disease NOVARTIS AG (CH) 2015-10-20 US disclosed
US-9079861-B2 Cyclic urea inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2015-07-14 US disclosed
US-20140309220-A1 BENZOXAZINES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2014-10-16 US disclosed
WO-2014141104-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2014-09-18 WO disclosed
US-8722727-B2 Antifungal agents Seynix, Inc. (US) 2014-05-13 US disclosed
US-20090208413-A1 Registry Method and Control System for Dea Schedule II-V Medicines DR PHARMA NOVA, LLC 2009-08-20 US disclosed
US-20070293682-A1 Methods of Preparing Sulfinamides and Sulfoxides APSINTERM, LLC 2007-12-20 US disclosed
US-20070293682-A1 Methods of Preparing Sulfinamides and Sulfoxides APSINTERM, LLC 2007-12-20 US disclosed
US-7256297-B2 Methods of preparing sulfinamides and sulfoxides APSINTERM, LLC. (US) 2007-08-14 US disclosed
US-7256297-B2 Methods of preparing sulfinamides and sulfoxides APSINTERM, LLC. (US) 2007-08-14 US disclosed
US-7064214-B2 Methods of preparing sulfinamides and sulfoxides APSINTERM LLC (US) 2006-06-20 US disclosed
US-20060128767-A1 Methods of preparing sulfinamides and sulfoxides SENANAYAKE CHRIS H 2006-06-15 US disclosed
EP-1389184-A2 METHODS OF PREPARING SULFINAMIDE AND SULFOXIDES Apsinterm, LLC. (US) 2004-02-18 EP disclosed
US-20030083517-A1 Methods of preparing sulfinamides and sulfoxides APSINTERM LLC 2003-05-01 US disclosed
WO-2002083608-A2 METHODS OF PREPARING SULFINAMIDE AND SULFOXIDES APSINTERM LLC (US) 2002-10-24 WO disclosed