SCHEMBL9560102

SCHEMBL9560102

C=CCN1C=NCC1.COS(=O)(=O)O

nearest known ligand 0.00

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

⚠ 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
Acetic Acid SCHEMBL11239348 0.81 MEN1 (0.32)
SCHEMBL28089492 0.81
Ammonia Solution, Strong SCHEMBL6701669 0.80
Hydrochloric Acid SCHEMBL1846220 0.80
SCHEMBL9840434 0.79 CYP2D6 (0.40)
Bromide SCHEMBL6700099 0.78
Bromide SCHEMBL6700096 0.78
Propionic Acid SCHEMBL5444675 0.78 FFAR3 (0.32)
SCHEMBL11039425 0.77
SCHEMBL9369880 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117015593-A Use of enzymes for improving fragrance deposition 诺维信公司 2023-11-07 CN disclosed
CN-107709534-B Improvements in or relating to encapsulated perfume compositions 奇华顿股份有限公司 2021-04-30 CN disclosed
CN-107787357-B Improvements in or relating to encapsulated perfume compositions 奇华顿股份有限公司 2021-03-23 CN disclosed
CN-110087736-A Perfume composition 奇华顿股份有限公司 2019-08-02 CN disclosed
CN-109503056-B The compound blast furnace slag of emulsified asphalt, roadbed injecting paste material of cinder and preparation method thereof 山东大学 2019-06-25 CN disclosed
EP-3279300-B1 FRAGRANCE COMPOSITION KAO CORP (JP) 2019-03-27 EP disclosed
CN-109503056-A The compound blast furnace slag of emulsified asphalt, roadbed injecting paste material of cinder and preparation method thereof 山东大学 2019-03-22 CN disclosed
CN-107849489-A Flavor compositions 奇华顿股份有限公司 2018-03-27 CN disclosed
CN-107787357-A In the flavor compositions of encapsulating or associated improvement 奇华顿股份有限公司 2018-03-09 CN disclosed
CN-107709534-A Improvements in or relating to encapsulated perfume compositions 奇华顿股份有限公司 2018-02-16 CN disclosed
EP-2857482-A1 PERFUME COMPOSITION Kao Corporation (JP) 2015-04-08 EP disclosed
CN-101679915-B Hard surface cleaning composition with hydrophilizing agent and method for cleaning hard surfaces RHODIA 2013-01-23 CN disclosed
CN-101679915-A Method with hard surface cleaning composition and cleaning hard surfaces of hydrophilizing agent RHODIA 2010-03-24 CN disclosed
CN-100574862-C The material that capsule is sealed INT FLAVORS & FRAGRANCES INC 2009-12-30 CN disclosed
CN-1735729-A Composition for surface treatment of substrates GE BAYER SILICONES GMBH & CO (DE) 2006-02-15 CN disclosed
CN-1701114-A fabric care compositions for lipophilic fluid systems PROCTER & GAMBLE (US) 2005-11-23 CN disclosed
CN-1689693-A Encapsulated materials INT FLAVORS & FRAGRANCES INC (US) 2005-11-02 CN disclosed
EP-0517762-B1 PROCESS FOR TREATMENT OF TEXTILES NOVO NORDISK AS (DK) 1993-12-08 EP disclosed
EP-0517762-A1 PROCESS FOR TREATMENT OF TEXTILES. NOVO NORDISK AS (DK) 1992-12-16 EP disclosed
WO-1991013136-A1 PROCESS FOR TREATMENT OF TEXTILES AND RINSING AGENT FOR USE IN THE PROCESS NOVO NORDISK A/S (DK) 1991-09-05 WO disclosed