⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28777375 | 1.00 | — | — | |
| SCHEMBL7739792 | 0.86 | SLC6A12 (0.60) | — | |
| SCHEMBL30445198 | 0.86 | SLC6A12 (0.60) | — | |
| SCHEMBL7739796 | 0.86 | SLC6A12 (0.60) | — | |
| SCHEMBL3742078 | 0.86 | SLC6A12 (0.60) | — | |
| SCHEMBL7410374 | 0.86 | SLC6A12 (0.60) | — | |
| SCHEMBL3109773 | 0.86 | SLC6A12 (0.60) | — | |
| SCHEMBL7740218 | 0.86 | SLC6A12 (0.60) | — | |
| SCHEMBL7740219 | 0.86 | SLC6A12 (0.60) | — | |
| SCHEMBL9278180 | 0.81 | SLC6A12 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023147418-A1 | PARP7 INHIBITORS | GILEAD SCIENCES, INC. (US) | 2023-08-03 | — | — | WO | disclosed |