SCHEMBL1145474

SCHEMBL1145474

CCCCOC[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
SCHEMBL2335019 0.97
SCHEMBL23174998 0.97
SCHEMBL9644539 0.97
SCHEMBL9660246 0.95 TSHR (0.50)
SCHEMBL173320 0.92
SCHEMBL9802054 0.90 CES2 (0.48)
SCHEMBL10704056 0.90 CES2 (0.48)
SCHEMBL10704481 0.90 CES2 (0.48)
SCHEMBL10953427 0.90 CES2 (0.48)
SCHEMBL4954643 0.90 CES2 (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030083497-A1 Taxoids, their preparation and pharmaceutical compositions containing them AVENTIS PHARMA, S.A. 2003-05-01 US claimed
US-6384071-B2 ANTITUMOR AGENTS AVENTIS PHARMA, S.A. (FR) 2002-05-07 US claimed
US-6380197-B1 FOR TREATING AND PREVENTING A PLETHORA OF DISEASES INCLUDING DIABETES AVENTIS PHARMA S. A. (FR) 2002-04-30 US claimed
US-20010021783-A1 New taxoids, their preparation and pharmaceutical compositions containing them Rhône-Poulenc Rorer S.A. 2001-09-13 US claimed
EP-1001943-A1 POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM Aventis Pharma S.A. (FR) 2000-05-24 EP claimed
US-5965591-A MONOAMINE OXIDASE INHIBITOR; FOR PROPHYLAXIS AND TREATING PARKINSON'S DISEASE, DEPRESSION AND ALZHEIMER'S DISEASE SANKYO COMPANY, LIMITED (JP) 1999-10-12 US claimed
WO-1999003843-A1 POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1999-01-28 WO claimed
US-5814658-A Taxoids, their preparation and pharmaceutical compositions containing them RHONE-POULENC RORER S.A. (FR) 1998-09-29 US claimed
US-11993578-B2 Pyrazole-3-carboxylic acid amide derivative and pest control agent KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2024-05-28 US disclosed
US-11964957-B2 Pyrazole derivative and harmful organism-controlling agent KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2024-04-23 US disclosed
EP-3808738-B1 PYRAZOLE DERIVATIVE AND HARMFUL ORGANISM-CONTROLLING AGENT KUMIAI CHEMICAL INDUSTRY CO (JP) 2024-04-17 EP disclosed
CN-112236421-B Pyrazole derivatives and pest control agents 组合化学工业株式会社 2023-12-26 CN disclosed
CN-110612295-B Pyrazole-3-carboxylic acid amide derivative and pest control agent 组合化学工业株式会社 2023-07-14 CN disclosed
US-20230110603-A1 3-ALKOXYBENZAMIDE DERIVATIVE, AND PEST CONTROL AGENT KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2023-04-13 US disclosed
US-5004746-A Anti-retroviral castanospermine esters MERRELL DOW PHARMACEUTICALS INC. (US) 1991-04-02 US disclosed
EP-0309952-A2 Anti-retroviral castanospermine esters MERRELL DOW PHARMACEUTICALS INC. (US) 1989-04-05 EP disclosed
US-4196291-A ANTHELMINTICS MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1980-04-01 US disclosed
US-4141978-A ANTHELMINTICS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1979-02-27 US disclosed
US-4113867-A ANTHELMINTICS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1978-09-12 US disclosed
US-4001411-A ANTHELMINTICS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-01-04 US disclosed