⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL839806 | 0.83 | — | — | |
| SCHEMBL9183337 | 0.82 | CNR2 (0.60) | — | |
| SCHEMBL15282090 | 0.79 | CNR2 (0.45) | — | |
| SCHEMBL30805168 | 0.79 | TSHR (0.36) | — | |
| SCHEMBL30195171 | 0.79 | CNR2 (0.71) | — | |
| SCHEMBL841621 | 0.77 | — | — | |
| SCHEMBL15296632 | 0.76 | — | — | |
| SCHEMBL4141685 | 0.76 | CNR2 (0.50) | — | |
| SCHEMBL13191371 | 0.76 | CHRM2 (0.42) | — | |
| SCHEMBL28945729 | 0.76 | CNR2 (0.50) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024054845-A1 | MACROCYCIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF | SIONNA THERAPEUTICS (US) | 2024-03-14 | — | — | WO | disclosed |
| US-9937158-B2 | Benzoheterocyclic compounds and use thereof | SHANGHAI KECHOW PHARMA, INC. (CN) | 2018-04-10 | — | — | US | disclosed |
| EP-2324028-A2 | THERAPEUTIC AGENTS 414 | AstraZeneca AB (SE) | 2011-05-25 | — | — | EP | disclosed |
| WO-2010015849-A2 | THERAPEUTIC AGENTS 414 | ASTRAZENECA AB (SE) | 2010-02-11 | — | — | WO | disclosed |