SCHEMBL776631

SCHEMBL776631

CC[S+]([O-])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
Propane SCHEMBL11453824 0.80
SCHEMBL776547 0.73
SCHEMBL12207182 0.73
SCHEMBL6707454 0.73
SCHEMBL1935002 0.73
SCHEMBL5196515 0.73
SCHEMBL14752976 0.73
SCHEMBL4589747 0.73
SCHEMBL8679762 0.73
SCHEMBL12232871 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 119 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4204407-B1 PROCESS GIVAUDAN SA (CH) 2024-06-19 EP claimed
US-20230312506-A1 PROCESS GIVAUDAN SA (CH) 2023-10-05 US claimed
EP-4204407-A1 PROCESS Givaudan SA (CH) 2023-07-05 EP claimed
US-20110245284-A1 Alkoxy- and Alkylthio-Substituted Anilinopyrimidines BAYER CROPSCIENCE AG (DE) 2011-10-06 US claimed
CN-102203070-A Alkoxy-and alkylthio-substituted anilinopyrimidines BAYER CROPSCIENCE AG 2011-09-28 CN claimed
EP-0832082-B1 N-HETEROARYL-PYRIDINESULFONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ASTRAZENECA AB (SE) 2001-11-21 EP claimed
US-6083951-A FOR THE TREATMENT OF DISEASES OR MEDICAL CONDITIONS SUCH AS HYPERTENSION, PULMONARY HYPERTENSION, CARDIAC OR CEREBRAL CIRCULATORY DISEASE AND RENAL DISEASE ZENECA LIMITED (GB) 2000-07-04 US claimed
EP-0752986-B1 N-HETEROCYCLYL SULPHONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ZENECA LTD (GB) 1999-05-19 EP claimed
US-5861401-A TREATMENT OF CONGESTIVE HEART FAILURE ZENECA LIMITED (GB) 1999-01-19 US claimed
EP-0832082-A1 N-HETEROARYL-PYRIDINESULFONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ZENECA LIMITED (GB) 1998-04-01 EP claimed
JP-H09510987-A 1997-11-04 JP claimed
US-5641793-A POSSESS ENDOTHELIN RECEPTOR ANTAGONIST ACTIVITY; USEFUL IN TREATMENT OF HYPERTENSION, CARDIAC OR CEREBRAL CIRCULATORY DISEASE AND RENAL DISEASE ZENECA LIMITED (GB) 1997-06-24 US claimed
EP-0752986-A1 N-HETEROCYCLYL SULPHONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ZENECA LIMITED (GB) 1997-01-15 EP claimed
WO-1996040681-A1 N-HETEROARYL-PYRIDINESULFONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ZENECA LIMITED (GB) 1996-12-19 WO claimed
EP-0682016-A1 Pyridine derivatives ZENECA LIMITED (GB) 1995-11-15 EP claimed
WO-1995026957-A1 N-HETEROCYCLYL SULPHONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ZENECA LIMITED (GB) 1995-10-12 WO claimed
CN-119685854-A Catalyst for preparing sulfone, preparation method thereof and application of catalyst in preparing sulfone by electrocatalytic oxidation of sulfoxide 齐鲁工业大学(山东省科学院) 2025-03-25 CN disclosed
US-12100809-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2024-09-24 US disclosed
EP-0409413-A2 Diaryl ether heterocycles IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-01-23 EP disclosed
US-4302593-A RECOVERING THE AMINO ACID FROM THE COMPOUND AS A MEANS OF SEPARATION OR PURIFICATION FROM SOLUTION LOWE ORVILLE G 1981-11-24 US disclosed