⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1098560 | 0.72 | — | — | |
| SCHEMBL6422947 | 0.72 | CA1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL10876135 | 0.69 | — | — | |
| SCHEMBL21765672 | 0.68 | MAPT (0.42) | — | |
| SCHEMBL7103411 | 0.68 | FAAH (0.30) | — | |
| SCHEMBL7099304 | 0.68 | FAAH (0.30) | — | |
| SCHEMBL7101181 | 0.68 | FAAH (0.30) | — | |
| SCHEMBL4961813 | 0.67 | ALDH1A1 (0.31) | — | |
| SCHEMBL18638706 | 0.67 | — | — | |
| SCHEMBL11797100 | 0.67 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024028365-A1 | SUBSTITUTED PYRIDONE GPR84 ANTAGONISTS AND USES THEREOF | Liminal Biosciences Limited (GB) | 2024-02-08 | — | — | WO | disclosed |
| WO-2023154344-A1 | 2-METHYL-4',5'-DIHYDROSPIRO[PIPERIDINE-4,7'-THIENO[2,3-C]PYRAN] DERIVATIVES AS INHIBITORS OF APOL1 AND METHODS OF USING SAME | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2023-08-17 | — | — | WO | disclosed |
| US-7674810-B2 | 1,1-dioxo-1H-1Λ6-benzo[d]isothiazol-3-yl)-4-hydroxy-1,5-dihydro-pyrrol-2-one inhibitors of HCV polymerase | ROCHE PALO ALTO LLC (US) | 2010-03-09 | — | — | US | disclosed |
| US-20060252785-A1 | Heterocyclic antiviral compounds | ROCHE PALO ALTO LLC | 2006-11-09 | — | — | US | disclosed |
| EP-0968181-A1 | PERFLUORYNATED SULPHONE SALTS, AND THEIR USES AS IONIC CONDUCTION MATERIALS | ACEP INC. (CA) | 2000-01-05 | — | — | EP | disclosed |
| WO-1999028292-A1 | PERFLUORYNATED SULPHONE SALTS, AND THEIR USES AS IONIC CONDUCTION MATERIALS | ACEP INC. (CA) | 1999-06-10 | — | — | WO | disclosed |
| US-5470984-A | Insecticides, molluscicides | SHELL RESEARCH LIMITED (GB) | 1995-11-28 | — | — | US | disclosed |
| US-5319092-A | Insecticides, miticides, aphidicides, molluscicides and plant growth regulators | SHELL RESEARCH LIMITED (GB) | 1994-06-07 | — | — | US | disclosed |
| EP-0213718-B1 | 1-DIMETHYLCARBAMOYL-3-SUBSTITUTED-5-SUBSTITUTED-1H-1,2,4-TRIAZOLES | ROHM AND HAAS COMPANY (US) | 1991-06-12 | — | — | EP | disclosed |
| EP-0213718-A2 | 1-Dimethylcarbamoyl-3-substituted-5-substituted-1H-1,2,4-triazoles | ROHM AND HAAS COMPANY (US) | 1987-03-11 | — | — | EP | disclosed |