⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29587733 | 1.00 | — | — | |
| SCHEMBL16576781 | 0.71 | FTO (0.38) | — | |
| SCHEMBL29772429 | 0.70 | — | — | |
| SCHEMBL219450 | 0.70 | — | — | |
| SCHEMBL16742975 | 0.69 | — | — | |
| SCHEMBL913440 | 0.68 | PDE5A (0.30) | — | |
| SCHEMBL5258668 | 0.68 | KDM4E (0.44) | — | |
| SCHEMBL24624020 | 0.66 | EGFR (0.31) | — | |
| SCHEMBL8984128 | 0.65 | EGFR (0.39) | — | |
| SCHEMBL1704740 | 0.64 | RPS6KA5 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3694509-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | Nuvation Bio Inc. (US) | 2020-08-19 | — | — | EP | disclosed |
| WO-2019074981-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | GiraFpharma LLC (US) | 2019-04-18 | — | — | WO | disclosed |
| EP-1631295-A2 | USE OF FUSED HETEROCYCLIC COMPOUNDS AS SCCE INHIBITORS FOR THE TREATMENT OF SKIN CONDITIONS OR CANCER | Arexis AB (SE) | 2006-03-08 | — | — | EP | disclosed |
| WO-2004108139-A2 | USE OF FUSED HETEROCYCLIC COMPOUNDS AS SCCE INHIBITORS FOR THE TREATMENT OF SKIN CONDITIONS OR CANCER | AREXIS AB (SE) | 2004-12-16 | — | — | WO | disclosed |