⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21827560 | 1.00 | — | — | |
| SCHEMBL25283910 | 1.00 | — | — | |
| SCHEMBL25293911 | 1.00 | — | — | |
| SCHEMBL25283978 | 1.00 | — | — | |
| SCHEMBL570338 | 0.84 | POLB (0.32) | — | |
| SCHEMBL3512247 | 0.82 | RIPK1 (0.31) | — | |
| SCHEMBL16828603 | 0.82 | RIPK1 (0.31) | — | |
| SCHEMBL17165589 | 0.82 | RIPK1 (0.31) | — | |
| SCHEMBL25339254 | 0.82 | RIPK1 (0.31) | — | |
| SCHEMBL757776 | 0.82 | RIPK1 (0.31) | — |
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-11802128-B2 | Azetidine and pyrrolidine PARP1 inhibitors and uses thereof | XINTHERA, INC. (US) | 2023-10-31 | — | — | US | disclosed |
| US-20230203033-A1 | AZETIDINE AND PYRROLIDINE PARP1 INHIBITORS AND USES THEREOF | XINTHERA, INC. | 2023-06-29 | — | — | US | disclosed |