⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21233394 | 0.81 | MGLL (0.30) | — | |
| SCHEMBL4491351 | 0.70 | — | — | |
| Methenamine SCHEMBL33785 | 0.37 | KDM4E (0.33) | — | |
| SCHEMBL14938 | 0.37 | — | — | |
| SCHEMBL8159738 | 0.37 | — | — | |
| SCHEMBL665551 | 0.37 | — | — | |
| SCHEMBL14615360 | 0.37 | — | — | |
| Methenamine SCHEMBL10628727 | 0.34 | KDM4E (0.31) | — | |
| SCHEMBL4156321 | 0.34 | — | — | |
| SCHEMBL30254807 | 0.30 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4219485-A1 | FUSED TRICYCLIC DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF | CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) | 2023-08-02 | — | — | EP | disclosed |