⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9475615 | 0.76 | — | — | |
| SCHEMBL22032 | 0.76 | — | — | |
| SCHEMBL27407206 | 0.72 | — | — | |
| SCHEMBL27362828 | 0.72 | — | — | |
| SCHEMBL28041220 | 0.72 | — | — | |
| SCHEMBL3515799 | 0.72 | — | — | |
| SCHEMBL6332037 | 0.72 | — | — | |
| Ammonia Solution, Strong SCHEMBL584955 | 0.72 | — | — | |
| Fluoride SCHEMBL1972045 | 0.72 | — | — | |
| Phosphine SCHEMBL27910524 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230203039-A1 | MACROCYCLIC PAD4 INHIBITORS USEFUL AS IMMUNOSUPPRESSANT | BRISTOL MYERS SQUIBB CO (US) | 2023-06-29 | — | — | US | disclosed |