⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1962665 | 0.95 | — | — | |
| SCHEMBL1965670 | 0.92 | MAOA (0.43) | — | |
| Hydrochloric Acid SCHEMBL1355107 | 0.90 | MAOA (0.42) | — | |
| SCHEMBL1744522 | 0.89 | — | — | |
| SCHEMBL22054129 | 0.86 | MAOB (0.40) | — | |
| SCHEMBL20851289 | 0.84 | BTK (0.41) | — | |
| SCHEMBL3631046 | 0.80 | MAOB (0.46) | — | |
| SCHEMBL25784227 | 0.78 | MAOA (0.41) | — | |
| SCHEMBL27483239 | 0.78 | GNAI3 (0.46) | — | |
| SCHEMBL4624158 | 0.77 | MAOB (0.43) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2824105-B1 | Indolopyridines as Eg5 kinesin modulators | 4SC AG (DE) | 2021-03-31 | — | — | EP | claimed |
| EP-1753723-B1 | SUBSTITUTED QUINOLINE DERIVATIVES AS MITOTIC KINESIN INHIBITORS | NOVARTIS VACCINES & DIAGNOSTIC (US) | 2008-08-13 | — | — | EP | claimed |
| WO-2019144912-A1 | β-LACTAMASE INHIBITOR AND USE THEREOF | 苏州信诺维医药科技有限公司 | 2019-08-01 | — | — | WO | disclosed |