SCHEMBL546591

SCHEMBL546591

Pc1ccc[nH]1

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
Pyrrole SCHEMBL6269093 0.89 FKBP5 (0.35)
SCHEMBL5846276 0.65
SCHEMBL2464131 0.65 MAPT (0.52)
SCHEMBL630634 0.65 HDAC6 (0.41)
SCHEMBL5720491 0.63
SCHEMBL30659527 0.62
Hydrochloric Acid SCHEMBL7988951 0.62 HDAC6 (0.40)
SCHEMBL145329 0.60
SCHEMBL3342275 0.60
SCHEMBL485899 0.60

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108123168-B Power supply for downhole tools 快帽系统公司 2022-11-15 CN claimed
CN-102388040-B Alkylamino-substituted dicyanopyrimidines and their amino acid ester prodrugs BAYER IP GMBH 2015-05-13 CN claimed
CN-111065623-B9 Linker for antibody drug conjugates 德克萨斯州大学系统董事会 2024-10-25 CN disclosed
CN-118652192-A Linker for antibody drug conjugates 德克萨斯州大学系统董事会 2024-09-17 CN disclosed
CN-111065623-B Linker for antibody drug conjugates 德克萨斯州大学系统董事会 2024-09-03 CN disclosed
CN-117479838-A Nematicidal composition 石原产业株式会社 2024-01-30 CN disclosed
CN-115555053-A Ligand compound and application thereof 中化泉州石化有限公司 2023-01-03 CN disclosed
CN-115501916-A Catalyst composition for ethylene trimerization and application thereof 中化泉州石化有限公司 2022-12-23 CN disclosed
CN-108123168-B Power supply for downhole tools 快帽系统公司 2022-11-15 CN disclosed
CN-107580592-B Thioether compounds as nitrification inhibitors 巴斯夫欧洲公司 2022-03-04 CN disclosed
CN-109903995-B High temperature energy storage device 快帽系统公司 2021-09-28 CN disclosed
CN-1474805-A 2-amino-2-alkyl-5-heptenoic and heptynoic acid derivatives useful as nitric oxide synthase inhibitors 2004-02-11 CN disclosed
EP-1383777-A1 LIGANDS FOR PNICOGEN CHELATE COMPLEXES WITH A METAL OF SUBGROUP VIII AND USE OF THE COMPLEXES AS CATALYSTS FOR HYDROFORMYLATION, CARBONYLATION, HYDROCYANATION OR HYDROGENATION BASF AKTIENGESELLSCHAFT (DE) 2004-01-28 EP disclosed
WO-2003066642-A1 PHOSPHORUS CHELATE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2003-08-14 WO disclosed
CN-1434830-A 2-aminocarbonyl-9H-purine derivatives PFIZER LTD (US) 2003-08-06 CN disclosed
EP-0851015-B1 Adhesive WACKER CHEMIE GMBH (DE) 2003-04-02 EP disclosed
WO-2003018192-A2 METHOD FOR THE PRODUCTION OF 2-PROPYLHEPTANOL AND HYDROFORMYLATING CATALYSTS AND THE FURTHER USE THEREOF FOR CARBONYLATION, HYDROCYANATION AND HYDROGENATION BASF AKTIENGESELLSCHAFT (DE) 2003-03-06 WO disclosed
WO-2002083695-A1 LIGANDS FOR PNICOGEN CHELATE COMPLEXES WITH A METAL OF SUBGROUP VIII AND USE OF THE COMPLEXES AS CATALYSTS FOR HYDROFORMYLATION, CARBONYLATION, HYDROCYANATION OR HYDROGENATION BASF AKTIENGESELLSCHAFT (DE) 2002-10-24 WO disclosed
CN-1335317-A Process for producing pyrazolo [4,3-d] pyrimidine-7-ketonic compound and its intermediate PFIZER (US) 2002-02-13 CN disclosed
CN-1187203-A Method for treating corticosteroid-induced osteopenia SYNTEX INC (US) 1998-07-08 CN disclosed