⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29427037 | 0.97 | — | — | |
| SCHEMBL14127433 | 0.97 | — | — | |
| SCHEMBL9840 | 0.97 | — | — | |
| SCHEMBL27708432 | 0.94 | — | — | |
| Benzene SCHEMBL28125416 | 0.94 | ALDH1A1 (0.94) | — | |
| Fluoride SCHEMBL27279471 | 0.94 | — | — | |
| Phosphine SCHEMBL9803033 | 0.94 | — | — | |
| Fluoride SCHEMBL27279826 | 0.94 | ALDH1A1 (0.94) | — | |
| Bromide SCHEMBL29030286 | 0.94 | ALDH1A1 (0.94) | — | |
| SCHEMBL29077748 | 0.94 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023078127-A1 | MACROCYCLIC SULFONAMIDE COMPOUND, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF | 中国药科大学 | 2023-05-11 | — | — | WO | disclosed |
| US-7579356-B2 | Thia-tetraazaacenaphthylene kinase inhibitors | JANSSEN PHARMACEUTICA NV (BE) | 2009-08-25 | — | — | US | disclosed |
| US-20070265264-A1 | 5-(3-chloro-4-fluoro-phenyl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,6,8-tetraaza-acenaphthylene-2-carboxylic acid (3,4-dimethoxy-phenyl)-amide | JANSSEN PHARMACEUTICA, N.V. (BE) | 2007-11-15 | — | — | US | disclosed |
| WO-2006118749-A1 | THIA-TETRAAZAACENAPHTHYLENE KINASE INHIBITORS | JANSSEN PHARMACEUTICA, N.V. (BE) | 2006-11-09 | — | — | WO | disclosed |
| EP-0199564-B1 | POLYHYDROXY POLYETHER, PROCESS FOR ITS PRODUCTION AND ITS USE | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1991-03-06 | — | — | EP | disclosed |