⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22092382 | 0.77 | TRPA1 (0.34) | — | |
| SCHEMBL31362938 | 0.69 | — | — | |
| SCHEMBL25353502 | 0.69 | GAA (0.42) | — | |
| SCHEMBL10639592 | 0.67 | TSHR (0.36) | — | |
| SCHEMBL31507682 | 0.65 | GAA (0.39) | — | |
| SCHEMBL31362996 | 0.63 | CETP (0.34) | — | |
| SCHEMBL11403140 | 0.60 | KMT2A (0.38) | — | |
| SCHEMBL21637209 | 0.57 | — | — | |
| SCHEMBL21052314 | 0.57 | — | — | |
| SCHEMBL34466260 | 0.57 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20250066328-A1 | PARP7 INHIBITORS | GILEAD SCIENCES, INC. | 2025-02-27 | — | — | US | disclosed |
| WO-2025024663-A1 | PARP7 INHIBITORS | GILEAD SCIENCES, INC. (US) | 2025-01-30 | — | — | WO | disclosed |