⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL195392 | 1.00 | — | — | |
| SCHEMBL443754 | 1.00 | — | — | |
| Ethylene Glycol SCHEMBL496500 | 0.91 | TDP1 (0.42) | — | |
| SCHEMBL17263410 | 0.78 | MAPK1 (0.36) | — | |
| SCHEMBL28815523 | 0.76 | ACACB (0.37) | — | |
| Hexylene Glycol SCHEMBL19379 | 0.76 | — | — | |
| Hexylene Glycol SCHEMBL335683 | 0.76 | — | — | |
| SCHEMBL16074731 | 0.76 | MAPK1 (0.39) | — | |
| Isopropyl Alcohol SCHEMBL2937490 | 0.76 | ALDH1A1 (0.40) | — | |
| Hexylene Glycol SCHEMBL123432 | 0.76 | — | — |
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 85 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111163761-A | Targeted drugs related to trimethylamine and/or trimethylamine-N-oxide | 普梭梅根公司 | 2020-05-15 | — | — | CN | claimed |
| US-11911371-B2 | Pyridine and pyrazine derivative for the treatment of chronic bronchitis | NOVARTIS AG (CH) | 2024-02-27 | — | — | US | disclosed |
| US-11718626-B2 | Macrocyclic compounds for treatment of medical disorders | ACHILLION PHARMACEUTICALS, INC. (US) | 2023-08-08 | — | — | US | disclosed |
| US-20230183326-A1 | PROTEIN-POLYMER-DRUG CONJUGATES | ASANA BIOSCIENCES, LLC | 2023-06-15 | — | — | US | disclosed |
| US-11649229-B2 | Amide compounds for treatment of immune and inflammatory disorders | ACHILLION PHARMACEUTICALS, INC. (US) | 2023-05-16 | — | — | US | disclosed |
| US-11649223-B2 | Amino compounds for treatment of immune and inflammatory disorders | ACHILLION PHARMACEUTICALS, INC. (US) | 2023-05-16 | — | — | US | disclosed |
| US-20180201580-A1 | COMPOUNDS FOR TREATMENT OF IMMUNE INFLAMMATORY DISORDERS | ACHILLION PHARMACEUTICALS, INC. (US) | 2018-07-19 | — | — | US | disclosed |
| US-20180186782-A1 | AMIDE COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS | ACHILLION PHARMACEUTICALS, INC. (US) | 2018-07-05 | — | — | US | disclosed |
| US-20180179186-A1 | ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS | ACHILLION PHARMACEUTICALS, INC. (US) | 2018-06-28 | — | — | US | disclosed |
| US-20180179185-A1 | AMINO COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS | ACHILLION PHARMACEUTICALS, INC. (US) | 2018-06-28 | — | — | US | disclosed |
| US-20120064181-A1 | P2X3 Receptor Antagonists for Treatment of Pain | MERCK SHARP & DOHME LLC | 2012-03-15 | — | — | US | disclosed |
| US-20120035122-A1 | ISOXAZOLINE DERIVATIVES AS ANTIPARASITIC AGENTS | ZOETIS SERVICES LLC | 2012-02-09 | — | — | US | disclosed |
| US-20120035122-A1 | ISOXAZOLINE DERIVATIVES AS ANTIPARASITIC AGENTS | ZOETIS SERVICES LLC | 2012-02-09 | — | — | US | disclosed |
| US-20110230483-A1 | Pyridine and Pyrazine derivative for the Treatment of CF | NOVARTIS AG | 2011-09-22 | — | — | US | disclosed |
| EP-2311799-A1 | 4-dedimethylamino tetracycline compounds | Paratek Pharmaceuticals, Inc. (US) | 2011-04-20 | — | — | EP | disclosed |
| US-20100311694-A1 | Set of Geldanamycin Derivatives and Their Preparation Methods | INSTITUTE OF MEDICINAL BIOTECHNOLOGY, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) | 2010-12-09 | — | — | US | disclosed |
| US-20100204119-A1 | 4-AMINO-5-OXO-7,8-DIHYDROPYRIMIDO[5,4-F][1,4]OXAZEPIN-6(5H)-YL PHENYL DERIVATIVES | PFIZER INC | 2010-08-12 | — | — | US | disclosed |
| US-20100204119-A1 | 4-AMINO-5-OXO-7,8-DIHYDROPYRIMIDO[5,4-F][1,4]OXAZEPIN-6(5H)-YL PHENYL DERIVATIVES | PFIZER INC | 2010-08-12 | — | — | US | disclosed |
| US-7446195-B2 | High affinity thiophene-based and furan-based kinase ligands | SCHERING CORPORATION (US) | 2008-11-04 | — | — | US | disclosed |
| US-20070043045-A1 | Novel high affinity thiophene-based and furan-based kinase ligands | SCHERING CORPORATION | 2007-02-22 | — | — | US | disclosed |