⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25193033 | 1.00 | — | — | |
| SCHEMBL25265038 | 1.00 | — | — | |
| SCHEMBL30414580 | 0.81 | KDM4E (0.33) | — | |
| SCHEMBL25264578 | 0.81 | KDM4E (0.33) | — | |
| SCHEMBL25190680 | 0.81 | KDM4E (0.33) | — | |
| SCHEMBL30414866 | 0.75 | IDO1 (0.39) | — | |
| SCHEMBL25189449 | 0.75 | IDO1 (0.39) | — | |
| SCHEMBL25264955 | 0.75 | IDO1 (0.39) | — | |
| SCHEMBL31471368 | 0.75 | HCAR2 (0.33) | — | |
| SCHEMBL25264881 | 0.74 | DPP4 (0.32) | — |
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-12180226-B2 | Spirotricycle RIPK1 inhibitors and methods of uses thereof | MERCK SHARP & DOHME LLC (US) | 2024-12-31 | — | — | US | disclosed |
| US-20230159558-A1 | SPIROTRICYCLE RIPK1 INHIBITORS AND METHODS OF USES THEREOF | MERCK SHARP & DOHME LLC (US) | 2023-05-25 | — | — | US | disclosed |