SCHEMBL514440

SCHEMBL514440

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
SCHEMBL13716823 1.00
SCHEMBL5533547 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 339 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3613724-B1 PROCESS FOR PREPARING (E2,Z6)-2,6-NONADIENAL SHINETSU CHEMICAL CO (JP) 2023-06-07 EP claimed
EP-3613732-B1 PROCESS FOR PREPARING (E2)-CIS-6,7-EPOXY-2-NONENAL SHINETSU CHEMICAL CO (JP) 2022-04-13 EP claimed
EP-3613732-A1 PROCESS FOR PREPARING (E2)-CIS-6,7-EPOXY-2-NONENAL Shin-Etsu Chemical Co., Ltd. (JP) 2020-02-26 EP claimed
EP-3613724-A1 PROCESS FOR PREPARING (E2,Z6)-2,6-NONADIENAL Shin-Etsu Chemical Co., Ltd. (JP) 2020-02-26 EP claimed
US-8772502-B2 Alkylsulfinyl-substituted thiazolide compounds ROMARK LABORATORIES, L.C. (US) 2014-07-08 US claimed
EP-2635124-A1 ALKYLSULFINYL-SUBSTITUTED THIAZOLIDE COMPOUNDS Romark Laboratories, L.C. (US) 2013-09-11 EP claimed
WO-2012061190-A1 ALKYLSULFINYL-SUBSTITUTED THIAZOLIDE COMPOUNDS ROMARK LABORATORIES L.C. (US) 2012-05-10 WO claimed
US-20120108591-A1 ALKYLSULFINYL-SUBSTITUTED THIAZOLIDE COMPOUNDS ROMARK LABORATORIES, L.C. 2012-05-03 US claimed
US-20090215888-A1 TOPICAL NAIL FORMULATION NUVO RESEARCH INC. (CA) 2009-08-27 US claimed
CN-101296691-A transdermal drug delivery dosage form NUVO RES INC (CA) 2008-10-29 CN claimed
EP-1909772-A1 TRANSDERMAL DRUG DELIVERY FORMULATION Nuvo Research Inc. (CA) 2008-04-16 EP claimed
WO-2007098591-A2 TOPICAL NAIL FORMULATION NUVO RESEARCH INC. (CA) 2007-09-07 WO claimed
WO-2007016766-A1 TRANSDERMAL DRUG DELIVERY FORMULATION NUVO RESEARCH INC. (CA) 2007-02-15 WO claimed
EP-0237397-B1 STEROIDS SATURATED IN 9(11) AND SUBSTITUTED IN POSITION 10 BY A RADICAL CONTAINING A TRIPLE BOND, PROCESS FOR THEIR PREPARATION, THEIR USE AS MEDICAMENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1990-02-07 EP claimed
EP-0176399-B1 STEROIDS SUBSTITUTED IN POSITION 10 BY A RADICAL CONTAINING A DOUBLE OR TRIPLE BOND, PROCESS FOR THEIR PREPARATION, THEIR USE AS MEDICAMENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1989-04-26 EP claimed
EP-0116974-B1 11-BETA-ARYL-ESTRADIENES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCHERING AKTIENGESELLSCHAFT (DE) 1986-10-29 EP claimed
EP-0116974-A1 11-Beta-aryl-estradienes, process for their preparation and pharmaceutical compositions containing them SCHERING AKTIENGESELLSCHAFT (DE) 1984-08-29 EP claimed
US-4093720-A ANTIALDOSTERONE AGENTS ROUSSEL UCLAF (FR) 1978-06-06 US claimed
US-12100809-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2024-09-24 US disclosed
US-3971777-A ANTIALDOSTERONE ROUSSEL-UCLAF (FR) 1976-07-27 US disclosed