SCHEMBL104643

SCHEMBL104643

CC(C)CC(C)OC=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
SCHEMBL3035559 0.90 FOLH1 (0.31)
SCHEMBL3035033 0.80 CTSK (0.37)
SCHEMBL6181558 0.79 ALDH1A1 (0.33)
SCHEMBL2457157 0.78 ALDH1A1 (0.32)
SCHEMBL4622582 0.78 LMNA (0.34)
SCHEMBL20217103 0.78 TAAR1 (0.30)
SCHEMBL3044662 0.78
SCHEMBL3036221 0.78
SCHEMBL27984 0.77
SCHEMBL16925591 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 679 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240174601-A1 COMPOSITION COMPRISING HETEROCYCLIC COMPOUND AND 4,4'-METHYLENE DIPHENYL DIISOCYANATE BASF SE (DE) 2024-05-30 US disclosed
EP-4308542-A1 COMPOSITION COMPRISING HETEROCYCLIC COMPOUND AND 4,4'-METHYLENE DIPHENYL DIISOCYANATE BASF SE (DE) 2024-01-24 EP disclosed
CN-117098751-A Composition comprising a heterocyclic compound and 4,4' -methylenediphenyl diisocyanate 巴斯夫欧洲公司 2023-11-21 CN disclosed
EP-3559007-B1 SULFONAMIDE COMPOUNDS HAVING TNAP INHIBITORY ACTIVITY DAIICHI SANKYO CO LTD (JP) 2023-08-16 EP disclosed
CN-110167946-B Sulfonamide compounds having TNAP inhibitory activity 第一三共株式会社 2022-04-08 CN disclosed
EP-3911698-A1 STABILIZER COMPOSITION FOR SEALANTS AND ADHESIVES BASF SE (DE) 2021-11-24 EP disclosed
CN-110062790-B Stabilizer composition 巴斯夫欧洲公司 2021-09-24 CN disclosed
CN-110062796-B Hardenable polymer composition 巴斯夫欧洲公司 2021-09-03 CN disclosed
CN-113302234-A Stabilizer composition for sealants and adhesives 巴斯夫欧洲公司 2021-08-24 CN disclosed
EP-3526288-B1 STABILIZER COMPOSITION BASF SE (DE) 2021-08-04 EP disclosed
US-5053471-A Methathesis ring opening polymerization of polar substituted norbornenes or octahydromethanonphthalenes; optics JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1991-10-01 US disclosed
EP-0437016-A2 Lipid A analogues having immunoactivating and anti-tumour activity Sankyo Company Limited (JP) 1991-07-17 EP disclosed
EP-0435104-A2 Salicylic acid derivatives, process for their preparation and their use as herbicide and bioregulators BASF Aktiengesellschaft (DE) 1991-07-03 EP disclosed
EP-0414112-A2 Herbicides thiadiazabicyclononan derivatives BASF Aktiengesellschaft (DE) 1991-02-27 EP disclosed
EP-0409291-A2 Thermoplastic resin composition JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1991-01-23 EP disclosed
EP-0402751-A1 Derivatives of salicylic aldehyde and salicylic acid and sulphur analoges thereof, methodes for preparing them and their use as herbicides and bioregulators BASF Aktiengesellschaft (DE) 1990-12-19 EP disclosed
EP-0398115-A1 Herbicidal n-phenyltetrahydrophthalimides, preparation and compositions BASF Aktiengesellschaft (DE) 1990-11-22 EP disclosed
EP-0346789-A2 Salicylic-acid derivatives and their sulfur analogues BASF Aktiengesellschaft (DE) 1989-12-20 EP disclosed
EP-0317262-A2 Transparent resin material JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1989-05-24 EP disclosed
EP-0238202-A2 Glycerol derivatives, their preparation and their therapeutic use Sankyo Company Limited (JP) 1987-09-23 EP disclosed