SCHEMBL253592

SCHEMBL253592

O=C(O)Cc1ccc[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
Hydrochloric Acid SCHEMBL6546575 0.98 ALDH1A1 (0.47)
Bromide SCHEMBL27470986 0.98 TSHR (0.46)
Pyridine SCHEMBL28090960 0.89 ALDH1A1 (0.46)
SCHEMBL8908954 0.84
SCHEMBL3807178 0.84 TSHR (0.39)
SCHEMBL8847499 0.80 KDM4E (0.36)
SCHEMBL11680374 0.80
SCHEMBL9978846 0.80
SCHEMBL4600538 0.80
SCHEMBL6338128 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112384509-B Furin inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2024-04-30 CN claimed
CN-115666567-A Furin inhibitors for the treatment of coronavirus infection BP资产V股份有限公司 2023-01-31 CN claimed
CN-113061149-B Preparation method of interchelated ligand, hydroformylation catalyst and dihydric alcohol 万华化学集团股份有限公司 2022-04-22 CN claimed
CN-113061149-A Preparation method of interchelated ligand, hydroformylation catalyst and dihydric alcohol 万华化学集团股份有限公司 2021-07-02 CN claimed
CN-101675061-A pyrrolo-N-heterocyclic derivatives, process for their preparation and their use in medicine SHANGHAI HENGRUI PHARM CO LTD 2010-03-17 CN claimed
CN-101049296-A Nitric ester derivatives and use in treatment of urinary incontinence and other diseases NICOX SA (FR) 2007-10-10 CN claimed
EP-1429807-A2 COMBINATION OF A NSAID AND A PDE-4 INHIBITOR ALTANA Pharma AG (DE) 2004-06-23 EP claimed
WO-2003024489-A2 COMBINATION OF A NSAID AND A PDE-4 INHIBITOR ALTANA PHARMA AG (DE) 2003-03-27 WO claimed
EP-1017380-A1 TOPICAL NON-STEROIDAL ANTI-INFLAMMATORY DRUG COMPOSITION Biocontrol Incorporated (US) 2000-07-12 EP claimed
EP-0821587-A4 COMPOSITIONS, KITS, AND METHODS FOR ADMINISTRATION OF ANTILIPEMIC AND ANTI-PLATELET AGGREGATION DRUGS LIPOPROTEIN TECHNOLOGIES INC (US) 1999-05-19 EP claimed
US-5308861-A Tetrapyrole compounds NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1994-05-03 US claimed
US-5011852-A Indoleacetic derivatives, alcohol free APPLIED ANALYTICAL INDUSTRIES, INC. (US) 1991-04-30 US claimed
EP-0079623-B1 PROCESS FOR THE PREPARATION OF 1H-PYRROLE-2-ACETIC ESTERS RÜTGERSWERKE AKTIENGESELLSCHAFT (DE) 1985-08-21 EP claimed
US-4493935-A SAPONIFICATION IH-PYRROL-2-ACETONITRILE (OR-ACETAMIDE), THEN 7AR-) RUTGERSWERKE AKTIENGESELLSCHAFT (DE) 1985-01-15 US claimed
US-4465843-A ALKYLATION, SAPONIFICATION, DECARBOXYLATION, AND BENZOYLATION OF 3,S-SIETHOXYCARBONYL-4-METHYL-2-PYRROLE ACETATE LABORATORIES PHARMEDICAL SA (LU) 1984-08-14 US claimed
EP-0010553-B1 PROCESS OF REDUCING A LOWERALKYL 1-LOWERALKYL-PYRROLE-2-GLYOXYLATE TO A LOWERALKYL 1-LOWERALKYL-PYRROLE-2-ACETATE McNeilab, Inc. (US) 1983-05-18 EP claimed
WO-1982001552-A1 PROCESS FOR PRODUCING SUBSTITUTED PYRROLES ETHYL CORP (US) 1982-05-13 WO claimed
EP-0051442-A1 Process for producing substituted pyrroles ETHYL CORPORATION (US) 1982-05-12 EP claimed
US-4284562-A Process for preparing pyrrole-2-acetic acids MCNEILAB, INC. (US) 1981-08-18 US claimed
US-3957818-A PREPARATION OF PYRROLE-2-ACETIC ACID DERIVATIVES MCNEIL LABORATORIES, INCORPORATED (US) 1976-05-18 US claimed