SCHEMBL104131

SCHEMBL104131

CC(C)(C)CCOC=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
SCHEMBL3041225 0.84 TDP1 (0.32)
SCHEMBL2384599 0.82 HRH3 (0.32)
SCHEMBL3042472 0.80 HRH3 (0.31)
SCHEMBL3039790 0.80 HRH3 (0.31)
SCHEMBL10525090 0.80
SCHEMBL8813629 0.80 HRH3 (0.31)
SCHEMBL24405005 0.79
SCHEMBL3504407 0.79
SCHEMBL10509498 0.79
SCHEMBL3042619 0.79 TDP1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110981873-B Preparation method for synthesizing pyrroloquinoline quinone by five-step method 江西农业大学 2025-01-24 CN claimed
EP-2758389-B1 PYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2017-06-07 EP claimed
CN-110981873-B Preparation method for synthesizing pyrroloquinoline quinone by five-step method 江西农业大学 2025-01-24 CN disclosed
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
EP-4308542-A1 COMPOSITION COMPRISING HETEROCYCLIC COMPOUND AND 4,4'-METHYLENE DIPHENYL DIISOCYANATE BASF SE (DE) 2024-01-24 EP disclosed
US-20230348438-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2023-11-02 US 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-0315518-A1 Cephalosporins having in position 3 a substituted vinyl radical, their process for preparation, their application as medicaments, compositions containing them and intermediates ROUSSEL-UCLAF (FR) 1989-05-10 EP disclosed
EP-0238202-A2 Glycerol derivatives, their preparation and their therapeutic use Sankyo Company Limited (JP) 1987-09-23 EP disclosed