SCHEMBL104642

SCHEMBL104642

CC(C)CC(C)O[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
SCHEMBL3035553 0.90
SCHEMBL15332551 0.81
SCHEMBL1766942 0.81
SCHEMBL3035030 0.80 ALDH1A1 (0.30)
SCHEMBL2457153 0.78 ALDH1A1 (0.32)
SCHEMBL3044657 0.78
SCHEMBL3036219 0.78
SCHEMBL3985139 0.77
SCHEMBL26533 0.77
SCHEMBL9845021 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037531-B2 Photoresponsive high-molecular weight material, adhesive, toner, and image forming method Konica Minolta, Inc. (JP) 2024-07-16 US disclosed
US-12029217-B2 Safened compositions comprising pyridine carboxylate herbicides and isoxadifen CORTEVA AGRISCIENCE LLC (US) 2024-07-09 US disclosed
US-12025909-B2 Photoresponsive compound Konica Minolta, Inc. (JP) 2024-07-02 US disclosed
US-12006292-B2 Photoresponsive compound Konica Minolta, Inc. (JP) 2024-06-11 US disclosed
US-20240174601-A1 COMPOSITION COMPRISING HETEROCYCLIC COMPOUND AND 4,4'-METHYLENE DIPHENYL DIISOCYANATE BASF SE (DE) 2024-05-30 US disclosed
US-11994827-B2 Photoresponsive polymer Konica Minolta, Inc. (JP) 2024-05-28 US disclosed
CN-111562729-B Light-responsive low-molecular material, adhesive, toner, and image forming method 柯尼卡美能达株式会社 2024-04-05 CN disclosed
CN-113056196-B Compositions comprising picolinate herbicides with glyphosate or glufosinate 科迪华农业科技有限责任公司 2024-04-02 CN 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
US-5057143-A Herbicides, plant growth regulators BASF AKTIENGESELLSCHAFT (DE) 1991-10-15 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-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-0238202-A2 Glycerol derivatives, their preparation and their therapeutic use Sankyo Company Limited (JP) 1987-09-23 EP disclosed
US-4487781-A HEAT RESISTANCE; PHOTOSTABILITY SANKYO COMPANY LIMITED (JP) 1984-12-11 US disclosed
US-4259350-A PROTECTING DEGRADABLE ORGANIC MATERIAL FROM FUNGAL OR INSECT ATTACK SANKYO COMPANY LIMITED (JP) 1981-03-31 US disclosed