SCHEMBL2494049

SCHEMBL2494049

CC(=O)c1c[nH]cc1C

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
SCHEMBL151109 0.79
SCHEMBL28912459 0.77
Methoxymethane SCHEMBL9291880 0.73 NOTUM (0.86)
SCHEMBL969677 0.70 TSHR (0.55)
SCHEMBL2491846 0.70 HSD17B1 (0.40)
SCHEMBL149977 0.69
SCHEMBL4403107 0.69 SMN1; SMN2 (0.52)
SCHEMBL22289940 0.69 NOTUM (0.52)
SCHEMBL29772061 0.69 NOTUM (0.71)
SCHEMBL7689425 0.67 BRPF1 (0.42)

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114478648-B Pyridine pyrrole ruthenium-like complex, preparation method thereof and application of pyridine pyrrole ruthenium-like complex as electrocatalytic ammoxidation catalyst 中南大学 2024-01-30 CN claimed
US-20250287942-A1 FORMULATIONS FOR REPELLING BEES AND OTHER INSECTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-09-18 US disclosed
CN-114478648-B Pyridine pyrrole ruthenium-like complex, preparation method thereof and application of pyridine pyrrole ruthenium-like complex as electrocatalytic ammoxidation catalyst 中南大学 2024-01-30 CN disclosed
WO-2023205458-A2 FORMULATIONS FOR REPELLING BEES AND OTHER INSECTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-10-26 WO disclosed
WO-2023018217-A1 METHOD FOR SYNTHESIZING BILIRUBIN 주식회사 빌릭스 2023-02-16 WO disclosed
WO-2015002994-A2 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-01-08 WO disclosed
US-20140349290-A1 PKD MUTATIONS AND EVALUATION OF SAME ATHENA DIAGNOSTICS, INC. (US) 2014-11-27 US disclosed
US-8895552-B2 Cyclic amide derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-11-25 US disclosed
US-20130217692-A1 CYCLIC AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-08-22 US disclosed
US-8330039-B2 Solar cell modules with poly(vinyl butyral) encapsulant comprising unsaturated heterocyclic compound E I DU PONT DE NEMOURS AND COMPANY (US) 2012-12-11 US disclosed
EP-2380208-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. du Pont de Nemours and Company (US) 2011-10-26 EP disclosed
WO-2010085664-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-29 WO disclosed
US-20100180947-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-22 US disclosed
EP-1083897-A4 HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2003-01-02 EP disclosed
US-6417202-B1 3-ACETYL-4-METHYL-2,5-DI(4-PYRIDYL)-1H-PYRROLE, FOR EXAMPLE; TREATING CELL ADHESION MOLECULES (CAMS) MEDIATED DISEASES SUCH AS ARTHRITIS, AIDS, SEPTIC SHOCK, CACHEXIA, TRANSPLANT REJECTION PFIZER INC. 2002-07-09 US disclosed
US-20020049235-A1 3-acetyl-4-methyl-2,5-di(4-pyridyl)-1H-pyrrole, for example; treating cell adhesion molecules (CAMs) mediated diseases such as arthritis, AIDS, septic shock, cachexia, transplant rejection PFIZER PHARMACEUTICALS INC. (JP) 2002-04-25 US disclosed
US-6306891-B1 INHIBITORS OF HIV INTEGRASE AND INHIBITORS OF HIV REPLICATION. THESE COMPOUNDS ARE USEFUL IN THE PREVENTION OR TREATMENT OF INFECTION BY HIV TREATMENT OF AIDS, EITHER AS COMPOUNDS, PHARMACEUTICALLY ACCEPTABLE SALTS MERCK & CO., INC. 2001-10-23 US disclosed
EP-1083897-A1 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2001-03-21 EP disclosed
WO-1999062513-A1 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 1999-12-09 WO disclosed
US-4548696-A 3,4-Disubstituted polypyrroles and articles of manufacture coated therewith OLIN CORPORATION (US) 1985-10-22 US disclosed