⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24791953 | 0.90 | — | — | |
| SCHEMBL18969341 | 0.78 | — | — | |
| SCHEMBL18969338 | 0.78 | — | — | |
| SCHEMBL18969265 | 0.78 | — | — | |
| SCHEMBL18976592 | 0.73 | TSHR (0.33) | — | |
| SCHEMBL18968105 | 0.73 | TSHR (0.33) | — | |
| SCHEMBL24952361 | 0.73 | — | — | |
| SCHEMBL25903106 | 0.64 | USP2 (0.30) | — | |
| SCHEMBL24792170 | 0.63 | — | — | |
| SCHEMBL20121409 | 0.62 | — | — |
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 |