⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31146867 | 0.79 | CYP3A4 (0.38) | — | |
| SCHEMBL31146870 | 0.67 | GAA (0.30) | — | |
| SCHEMBL28356670 | 0.64 | C5AR1 (0.38) | — | |
| SCHEMBL16044114 | 0.62 | GPR3 (0.34) | — | |
| SCHEMBL31457665 | 0.61 | AHR (0.33) | — | |
| SCHEMBL1859168 | 0.61 | GPR3 (0.33) | — | |
| SCHEMBL16044169 | 0.60 | ATP4A (0.36) | — | |
| SCHEMBL7698498 | 0.58 | CYP3A4 (0.54) | — | |
| SCHEMBL31146887 | 0.58 | TAAR1 (0.32) | — | |
| SCHEMBL10915006 | 0.56 | S1PR1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4680606-A1 | ADENINE DERIVATIVES AS HSP90 INHIBITORS | AtmosR (FR) | 2026-01-21 | — | — | EP | disclosed |
| WO-2024194175-A1 | ADENINE DERIVATIVES AS HSP90 INHIBITORS | ATMOSR (FR) | 2024-09-26 | — | — | WO | disclosed |