⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22247538 | 0.80 | MAPK1 (0.33) | — | |
| SCHEMBL25624937 | 0.80 | MAPK1 (0.33) | — | |
| SCHEMBL22247527 | 0.80 | MAPK1 (0.33) | — | |
| SCHEMBL25624926 | 0.80 | MAPK1 (0.33) | — | |
| SCHEMBL20869781 | 0.77 | MAPK1 (0.30) | — | |
| SCHEMBL25626115 | 0.77 | MAPK1 (0.30) | — | |
| SCHEMBL20869776 | 0.77 | MAPK1 (0.30) | — | |
| SCHEMBL20856964 | 0.75 | POLB (0.32) | — | |
| SCHEMBL20856976 | 0.75 | POLB (0.32) | — | |
| SCHEMBL7092674 | 0.74 | SUCNR1 (0.38) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11680042-B2 | Compounds, reagents, and uses thereof | METABOLON, INC. (US) | 2023-06-20 | — | — | US | disclosed |
| US-11680042-B2 | Compounds, reagents, and uses thereof | METABOLON, INC. (US) | 2023-06-20 | — | — | US | disclosed |
| US-20200231541-A1 | COMPOUNDS, REAGENTS, AND USES THEREOF | METABOLON, INC. | 2020-07-23 | — | — | US | disclosed |
| WO-2019067699-A1 | COMPOUNDS, REAGENTS, AND USES THEREOF | METABOLON, INC. (US) | 2019-04-04 | — | — | WO | disclosed |