SCHEMBL6821171

SCHEMBL6821171

COOC(=O)C(C)(C)C

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
SCHEMBL1141547 0.83 ELANE (0.40)
SCHEMBL27999369 0.82 ELANE (0.33)
SCHEMBL5739290 0.81 DGAT1 (0.46)
SCHEMBL31361800 0.80 ELANE (0.39)
SCHEMBL10832757 0.79
SCHEMBL4676768 0.79
SCHEMBL11788330 0.79 ELANE (0.34)
Benzidine SCHEMBL29183444 0.78 TDP1 (0.42)
SCHEMBL30972534 0.78 ELANE (0.37)
SCHEMBL28850623 0.78 ELANE (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004046153-A1 PRODRUG ESTERS OF CEFTRIAXONE RANBAXY LABORATORIES LIMITED (IN) 2004-06-03 WO claimed
US-4937253-A LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1990-06-26 US claimed
CN-117693509-A Macrocyclic compounds for the treatment of cancer 豪夫迈·罗氏有限公司 2024-03-12 CN disclosed
EP-3863711-A1 AMINO ACID COMPOUNDS AND METHODS OF USE Pliant Therapeutics, Inc. (US) 2021-08-18 EP disclosed
CN-110325523-A Carboxylic acid aromatic amides as bradykinin B1 receptor antagonists 拜耳制药股份公司 2019-10-11 CN disclosed
CN-105646210-B A kind of synthetic method of hydroxyl methyl trimethylacetate 苏州艾缇克药物化学有限公司 2018-03-09 CN disclosed
CN-103649087-B Substituted imidazopyridine and intermediate thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-11-30 CN disclosed
CN-103814029-B Substituted imidazopyridazines 拜耳知识产权有限责任公司 2016-10-12 CN disclosed
CN-105646210-A Method for synthesizing methyl hydroxypivalate 苏州艾缇克药物化学有限公司 2016-06-08 CN disclosed
CN-103370320-B 2,3-glyoxalidine also [1,2-c] quinoline that arylamino alcohol replaces BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-04-27 CN disclosed
CN-103370318-B The Imidazopyridazine replaced BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-04-20 CN disclosed
CN-100408546-C Ester compounds and theire use in forming acrylates BATTELLE MEMORIAL INSTITUTE (US) 2008-08-06 CN disclosed
CN-1529690-A Ester compounds and theire use in forming acrylates ���ض������о�Ժ 2004-09-15 CN disclosed
EP-0907653-A1 PROCESS FOR THE PREPARATION OF PENAM AND PENEM DERIVATIVES ZENECA LIMITED (GB) 1999-04-14 EP disclosed
EP-0906312-A1 PROCESS FOR THE PREPARATION OF CARBAPENEM DERIVATIVES AND INTERMEDIATES THEREOF ZENECA LIMITED (GB) 1999-04-07 EP disclosed
WO-1998000429-A1 PROCESS FOR THE PREPARATION OF PENAM AND PENEM DERIVATIVES ZENECA LIMITED (GB) 1998-01-08 WO disclosed
WO-1997047621-A1 PROCESS FOR THE PREPARATION OF CARBAPENEM DERIVATIVES AND INTERMEDIATES THEREOF ZENECA LIMITED (GB) 1997-12-18 WO disclosed
EP-0166972-B1 PENEM DERIVATIVES, METHODS OF PRODUCING THEM, THEIR USE AND PHARMACEUTICAL COMPOSITIONS FARMITALIA CARLO ERBA S.r.l. (IT) 1989-04-19 EP disclosed
US-4618606-A Antibiotic 7-(thiazolyl)-3-(pyrazinylmethyl) or (pyridazinylmethyl) cephalosporins TOYAMA CHEMICAL CO., LTD. (JP) 1986-10-21 US disclosed
EP-0055990-B1 BETA-LACTAM ANTIBIOTICS, THEIR PREPARATION AND USE BEECHAM GROUP PLC (GB) 1986-06-11 EP disclosed