⚠ 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Propionic Acid SCHEMBL10999762 | 0.73 | — | — | |
| SCHEMBL3649260 | 0.72 | — | — | |
| Propionic Acid SCHEMBL28098319 | 0.70 | — | — | |
| Butanone SCHEMBL29133563 | 0.70 | — | — | |
| Propionic Acid SCHEMBL6919356 | 0.67 | FFAR3 (0.77) | — | |
| Propionic Acid SCHEMBL19409 | 0.67 | FFAR3 (1.00) | — | |
| Butanone SCHEMBL8379087 | 0.67 | ALDH1A1 (1.00) | — | |
| Butanone SCHEMBL1039820 | 0.67 | ALDH1A1 (1.00) | — | |
| SCHEMBL42679 | 0.67 | — | — | |
| Propionic Acid SCHEMBL1462509 | 0.67 | FFAR3 (1.00) | — |
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 93 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0284174-B1 | THERAPEUTIC PREPARATIONS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1992-07-29 | — | — | EP | claimed |
| EP-0284174-A1 | Therapeutic preparations | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-09-28 | — | — | EP | claimed |
| US-4268510-A | DEMETHANIZATION, METABOLISM, RUMEN | IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) | 1981-05-19 | — | — | US | claimed |
| EP-0010348-A1 | Heterocyclic trichloromethyl derivatives, process for their preparation and their use | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1980-04-30 | — | — | EP | claimed |
| CN-115093408-A | Benzylamine-containing 5, 6-heteroaromatic compounds useful against mycobacterial infections | 盐野义制药株式会社 | 2022-09-23 | — | — | CN | disclosed |
| EP-3412663-B1 | NITROGEN-CONTAINING HETEROCYCLE AND CARBOCYCLE DERIVATIVES HAVING TRKA INHIBITORY ACTIVITY | SHIONOGI & CO (JP) | 2022-09-07 | — | — | EP | disclosed |
| US-20220235047-A1 | A MEDICAMENT FOR TREATING MYCOBACTERIAL INFECTION CHARACTERIZED BY COMBINING A CYTOCHROME bc1 INHIBITOR WITH CLARITHROMYCIN OR AZITHROMYCIN AND CLOFAZIMINE | SHIONOGI & CO., LTD. (JP) | 2022-07-28 | — | — | US | disclosed |
| EP-4028130-A1 | BENZYL AMINE-CONTAINING 5,6-HETEROAROMATIC COMPOUNDS USEFUL AGAINST MYCOBACTERIAL INFECTION | Shionogi & Co., Ltd (JP) | 2022-07-20 | — | — | EP | disclosed |
| WO-2022119899-A1 | A MEDICAMENT FOR TREATING MYCOBACTERIAL INFECTION CHARACTERIZED BY COMBINING A CYTOCHROME BC1 INHIBITOR WITH CLARITHROMYCIN OR AZITHROMYCIN | SHIONOGI & CO., LTD. (JP) | 2022-06-09 | — | — | WO | disclosed |
| CN-114401965-A | Benzylamine-containing 5, 6-heteroaromatic compounds useful against mycobacterial infections | 盐野义制药株式会社 | 2022-04-26 | — | — | CN | disclosed |
| EP-3976031-A1 | A MEDICAMENT FOR TREATING MYCOBACTERIAL INFECTION CHARACTERIZED BY COMBINING A CYTOCHROME BC1 INHIBITOR WITH CLARITHROMYCIN OR AZITHROMYCIN AND CLOFAZIMINE | Shionogi & Co., Ltd (JP) | 2022-04-06 | — | — | EP | disclosed |
| CN-107428700-B | 9-membered fused ring derivative | 盐野义制药株式会社 | 2021-08-03 | — | — | CN | disclosed |
| US-5780490-A | A O-(2,4-OXA(OR THIA)ZOLIDINYL)PHENYLOXY(OR THIO OR AMINO) ALKYLOXIME; ALDOSE REDUCTASE INHIBITORS; ANTIDIABETIC AND -HYPOGLYCEMIC AGENTS; LIVER, SKIN AND UROGENITAL DISORDERS | SANKYO COMPANY, LIMITED (JP) | 1998-07-14 | — | — | US | disclosed |
| US-5703096-A | ANTIDIABETIC AGENTS; ALDOSE REDUCTASE INHIBITOR | SANKYO COMPANY, LIMITED (JP) | 1997-12-30 | — | — | US | disclosed |
| EP-0708098-A1 | Oxime derivatives, their preparation and their therapeutic use | SANKYO COMPANY LIMITED (JP) | 1996-04-24 | — | — | EP | disclosed |
| US-5173496-A | Antiinflammatory agents | ICI PHARMA (FR) | 1992-12-22 | — | — | US | disclosed |
| EP-0284174-B1 | THERAPEUTIC PREPARATIONS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1992-07-29 | — | — | EP | disclosed |
| EP-0284174-A1 | Therapeutic preparations | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-09-28 | — | — | EP | disclosed |
| US-4649149-A | ANTHELMINTICS | CIBA-GEIGY CORPORATION (US) | 1987-03-10 | — | — | US | disclosed |
| US-4511567-A | ANTHELMINTICS | CIBA-GEIGY CORPORATION (US) | 1985-04-16 | — | — | US | disclosed |