SCHEMBL9542808

SCHEMBL9542808

CCC(CC)C(O)=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
SCHEMBL7712359 0.90 SLC1A3 (0.39)
SCHEMBL7712355 0.87 CA2 (0.39)
SCHEMBL197329 0.84
SCHEMBL10585376 0.82
SCHEMBL7515469 0.82
SCHEMBL10960280 0.80
SCHEMBL1920048 0.78 CA2 (0.60)
SCHEMBL11203330 0.78 MMP2 (0.40)
SCHEMBL18639902 0.78 SLC1A3 (0.38)
SCHEMBL7509588 0.76 CA2 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240270771-A1 Compound containing phosphate group, pharmaceutical composition containing same, preparation method therefor and use thereof SHANGHAI RAISING PHARMACEUTICAL CO., LTD. (CN) 2024-08-15 US claimed
EP-3509647-B1 ABSORBENT ARTICLES INCLUDING PERFUME AND CYCLODEXTRINS PROCTER & GAMBLE (US) 2020-10-21 EP claimed
EP-3350296-A1 PERFUME COMPOSITION COMPRISING AN ODOR MODULATOR COMPOUND, AMINO ALCOHOL AND ODORIFEROUS ALDEHYDE AND/OR ODORIFEROUS KETONE FOR INCREASING AND PROLONGING ODOR INTENSITY Henkel AG & Co. KGaA (DE) 2018-07-25 EP claimed
EP-3349861-A1 PERFUME COMPOSITION COMPRISING FRAGRANCE MODULATOR COMPOUNDS AND SILICIC ACID ESTERS FOR INCREASING AND PROLONGING THE INTENSITY OF FRAGRANCE Henkel AG & Co. KGaA (DE) 2018-07-25 EP claimed
EP-3350295-A1 PERFUME COMPOSITION COMPRISING FRAGRANCE MODULATOR COMPOUNDS AND 1-AZA-3,7-DIOXABICYCLO[3.3.0]OCTANE COMPOUNDS FOR INCREASING AND PROLONGING THE INTENSITY OF FRAGRANCE Henkel AG & Co. KGaA (DE) 2018-07-25 EP claimed
EP-3350297-A1 TRANSPARENT LIQUIDS, IN PARTICULAR FABRIC TREATMENT AGENTS, CONTAINING PERFUME AND MICROCAPSULES WITH AN ODOR MODULATOR COMPOUND Henkel AG & Co. KGaA (DE) 2018-07-25 EP claimed
WO-2017046058-A1 PERFUME COMPOSITION HAVING ODOR MODULATOR COMPOUNDS FOR INCREASING ODOR INTENSITY HENKEL AG & CO. KGAA (DE) 2017-03-23 WO claimed
WO-2017046052-A1 PERFUME COMPOSITION COMPRISING FRAGRANCE MODULATOR COMPOUNDS AND SILICIC ACID ESTERS FOR INCREASING AND PROLONGING THE INTENSITY OF FRAGRANCE HENKEL AG & CO. KGAA (DE) 2017-03-23 WO claimed
WO-2017046050-A1 LIQUID CLEANING AGENT HAVING OPTIMIZED SCENT HENKEL AG & CO. KGAA (DE) 2017-03-23 WO claimed
WO-2017046051-A1 PERFUME COMPOSITION COMPRISING FRAGRANCE MODULATOR COMPOUNDS AND 1-AZA-3,7-DIOXABICYCLO[3.3.0]OCTANE COMPOUNDS FOR INCREASING AND PROLONGING THE INTENSITY OF FRAGRANCE HENKEL AG & CO. KGAA (DE) 2017-03-23 WO claimed
WO-2017046054-A1 PERFUME COMPOSITION COMPRISING AN ODOR MODULATOR COMPOUND, AMINO ALCOHOL AND ODORIFEROUS ALDEHYDE AND/OR ODORIFEROUS KETONE FOR INCREASING AND PROLONGING ODOR INTENSITY HENKEL AG & CO. KGAA (DE) 2017-03-23 WO claimed
WO-2017046055-A1 PERFUME COMPOSITIONS COMPRISING MICROCAPSULES, FRAGRANCE MODULATOR COMPOUNDS AND FRAGRANCE RAW MATERIAL FOR INCREASING AND PROLONGING THE INTENSITY OF FRAGRANCE HENKEL AG & CO. KGAA (DE) 2017-03-23 WO claimed
WO-2017046056-A1 PERFUME COMPOSITION COMPRISING FRAGRANCE MODULATOR COMPOUNDS FOR INCREASING THE INTENSITY OF FRAGRANCE HENKEL AG & CO. KGAA (DE) 2017-03-23 WO claimed
WO-2017046282-A1 TRANSPARENT LIQUIDS, IN PARTICULAR FABRIC TREATMENT AGENTS, CONTAINING PERFUME AND MICROCAPSULES WITH AN ODOR MODULATOR COMPOUND HENKEL AG & CO. KGAA (DE) 2017-03-23 WO claimed
WO-2022242629-A1 COMPOUND CONTAINING PHOSPHATE GROUP, PHARMACEUTICAL COMPOSITION CONTAINING SAME, PREPARATION METHOD THEREFOR AND USE THEREOF 上海日馨医药科技股份有限公司 2022-11-24 WO disclosed
CN-109568166-B Fragrance materials 宝洁公司 2022-01-28 CN disclosed
CN-108707901-B Recyclable tin stripping solution and preparation method and use method thereof 深圳市瑞世兴科技有限公司 2020-09-01 CN disclosed
EP-0002219-A1 Medicines with sulfur containing esters, and their preparation Troponwerke GmbH &amp; Co. KG (DE) 1979-06-13 EP disclosed
US-4059699-A O,O-diethyl-O-carboxamidophosphate esters and use to combat insects and mites GULF OIL CORPORATION (US) 1977-11-22 US disclosed
US-3994997-A MITICIDES, INSECTICIDES GULF OIL CORPORATION (US) 1976-11-30 US disclosed