⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5286727 | 0.83 | HCAR3 (0.35) | — | |
| SCHEMBL5279542 | 0.82 | — | — | |
| SCHEMBL5279049 | 0.80 | — | — | |
| SCHEMBL5324743 | 0.79 | HCAR2 (0.38) | — | |
| SCHEMBL5282903 | 0.77 | — | — | |
| SCHEMBL1221201 | 0.75 | — | — | |
| SCHEMBL24826950 | 0.71 | — | — | |
| SCHEMBL5274972 | 0.69 | — | — | |
| SCHEMBL1106136 | 0.69 | — | — | |
| SCHEMBL23869552 | 0.68 | HCAR2 (0.31) | — |
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-20230271993-A1 | 3-DEOXY-2-KETOALDONIC ACID NITROGEN-CONTAINING DERIVATIVE, PREPARATION METHOD THEREOF, AND USE THEREOF | UNIV SICHUAN (CN) | 2023-08-31 | — | — | US | disclosed |
| US-20210214347-A1 | RIP1 INHIBITORY COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME | RIGEL PHARMACEUTICALS, INC. (US) | 2021-07-15 | — | — | US | disclosed |
| EP-1859781-A2 | Brightening and/or colouring agent with triazoles | Henkel Kommanditgesellschaft auf Aktien (DE) | 2007-11-28 | — | — | EP | disclosed |