⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29518741 | 0.75 | — | — | |
| SCHEMBL3717170 | 0.75 | — | — | |
| SCHEMBL31301232 | 0.72 | NUDT1 (0.57) | — | |
| SCHEMBL317186 | 0.70 | — | — | |
| SCHEMBL29530920 | 0.70 | — | — | |
| SCHEMBL9975828 | 0.68 | — | — | |
| SCHEMBL8299615 | 0.68 | — | — | |
| SCHEMBL767020 | 0.68 | — | — | |
| SCHEMBL7349023 | 0.68 | — | — | |
| SCHEMBL10531256 | 0.68 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023022497-A1 | SOS1 INHIBITOR AND USE THEREOF | 주식회사 카나프테라퓨틱스 | 2023-02-23 | — | — | WO | disclosed |
| EP-2507234-B1 | IMIDAZOLE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS | NOVARTIS AG (CH) | 2014-03-12 | — | — | EP | disclosed |