⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14497312 | 0.83 | HRH3 (0.33) | — | |
| SCHEMBL24819398 | 0.83 | HRH3 (0.33) | — | |
| SCHEMBL23542611 | 0.78 | — | — | |
| SCHEMBL19008943 | 0.77 | HRH3 (0.38) | — | |
| SCHEMBL22645239 | 0.76 | — | — | |
| SCHEMBL19756431 | 0.75 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL16984140 | 0.75 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL20892854 | 0.74 | — | — | |
| SCHEMBL22752326 | 0.73 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL21584910 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20240208981-A1 | NITROGEN-CONTAINING HETEROCYCLIC POLYCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF | JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) | 2024-06-27 | — | — | US | disclosed |
| US-20200354357-A1 | AUTOTAXIN INHIBITORS AND USES THEREOF | SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) | 2020-11-12 | — | — | US | disclosed |
| US-10711000-B2 | Autotaxin inhibitors and uses thereof | FRONTHERA U.S. PHARMACEUTICALS LLC (US) | 2020-07-14 | — | — | US | disclosed |