SCHEMBL94561

SCHEMBL94561

CCC(C)CCO[C]=O

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
SCHEMBL3031091 0.89
SCHEMBL3038364 0.86
SCHEMBL51236 0.85 LMNA (0.31)
SCHEMBL3034084 0.84 TSHR (0.37)
SCHEMBL3024352 0.83 ACE2 (0.32)
SCHEMBL3043253 0.80 ACE2 (0.37)
SCHEMBL3040203 0.79
SCHEMBL3034454 0.79 ALDH1A1 (0.33)
SCHEMBL3024811 0.79 ACE2 (0.44)
SCHEMBL530959 0.78 ACE2 (0.33)

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 1224 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7419620-B2 Dichroic mixtures ROLIC LTD C/O ROLIC TECHNOLOGIES LTD (CH) 2008-09-02 US claimed
EP-1385914-B1 DICHROIC MIXTURE ROLIC AG (CH) 2008-07-23 EP claimed
US-20040164272-A1 Dichoric mixture ROLIC AG (CH) 2004-08-26 US claimed
EP-1385914-A1 DICHROIC MIXTURE Rolic AG (CH) 2004-02-04 EP claimed
WO-2002090447-A1 DICHROIC MIXTURE ROLIC AG (CH) 2002-11-14 WO claimed
EP-1256602-A1 Dichroic mixture Rolic AG (CH) 2002-11-13 EP claimed
US-12029217-B2 Safened compositions comprising pyridine carboxylate herbicides and isoxadifen CORTEVA AGRISCIENCE LLC (US) 2024-07-09 US disclosed
US-20240216389-A1 DRUG FOR PREVENTING AND/OR TREATING POLYCYSTIC KIDNEY DISEASE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2024-07-04 US disclosed
US-20240174601-A1 COMPOSITION COMPRISING HETEROCYCLIC COMPOUND AND 4,4'-METHYLENE DIPHENYL DIISOCYANATE BASF SE (DE) 2024-05-30 US disclosed
US-20240148699-A1 OXAZOLE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2024-05-09 US disclosed
US-11957691-B2 Drug for preventing and/or treating polycystic kidney disease OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2024-04-16 US disclosed
WO-2024043242-A1 HEART FAILURE TREATMENT VIA CARDIOTONIC EFFECT BY TRPC3/6/7 CHANNEL ACTIVATION 国立大学法人九州大学 2024-02-29 WO disclosed
US-11886119-B2 Material for forming underlayer film, resist underlayer film, method of producing resist underlayer film, and laminate MITSUI CHEMICALS, INC. (JP) 2024-01-30 US disclosed
EP-0354297-A1 Thiadiazines, process for production thereof, and insecticidal and acaricidal agents comprising the thiadiazines MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-02-14 EP disclosed
EP-0346789-A2 Salicylic-acid derivatives and their sulfur analogues BASF Aktiengesellschaft (DE) 1989-12-20 EP disclosed
US-4859759-A Siloxane containing benzotriazolyl/tetraalkylpiperidyl substituent KIMBERLY-CLARK CORPORATION (US) 1989-08-22 US disclosed
EP-0087679-B1 1,3-DIOXANES MERCK PATENT GmbH (DE) 1988-06-22 EP disclosed
EP-0269963-A2 Ferroelectric liquid crystals F. HOFFMANN-LA ROCHE AG (CH) 1988-06-08 EP disclosed
EP-0238202-A2 Glycerol derivatives, their preparation and their therapeutic use Sankyo Company Limited (JP) 1987-09-23 EP disclosed
EP-0087679-A2 1,3-Dioxanes MERCK PATENT GmbH (DE) 1983-09-07 EP disclosed