⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12869089 | 0.77 | GABRA1 (0.34) | — | |
| SCHEMBL19987785 | 0.77 | SIRT2 (0.36) | — | |
| SCHEMBL1208452 | 0.76 | — | — | |
| SCHEMBL2095716 | 0.76 | — | — | |
| SCHEMBL1207509 | 0.76 | — | — | |
| SCHEMBL9844943 | 0.76 | SIRT2 (0.35) | — | |
| SCHEMBL12424232 | 0.74 | — | — | |
| SCHEMBL24908116 | 0.73 | — | — | |
| SCHEMBL25088263 | 0.73 | — | — | |
| SCHEMBL12384343 | 0.73 | CNR2 (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 |
|---|---|---|---|---|---|---|---|
| WO-2023169226-A1 | SUBSTITUTED TRICYCLIC COMPOUNDS AS PARP INHIBITORS AND THE USE THEREOF | Impact Therapeutics (Shanghai), Inc (CN) | 2023-09-14 | — | — | WO | disclosed |
| CN-107406422-A | Pyrazole derivatives as sGC stimulants | 铁木医药有限公司 | 2017-11-28 | — | — | CN | disclosed |