⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12374717 | 1.00 | — | — | |
| SCHEMBL979637 | 1.00 | — | — | |
| SCHEMBL980488 | 0.86 | — | — | |
| SCHEMBL4947996 | 0.84 | CA1 (0.44) | — | |
| SCHEMBL9225782 | 0.76 | ALDH1A1 (0.47) | — | |
| SCHEMBL3473156 | 0.75 | — | — | |
| SCHEMBL3972493 | 0.75 | — | — | |
| SCHEMBL2834476 | 0.75 | — | — | |
| SCHEMBL6470257 | 0.75 | — | — | |
| SCHEMBL9943877 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024054840-A1 | MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF | SIONNA THERAPEUTICS (US) | 2024-03-14 | — | — | WO | disclosed |
| US-5066663-A | Substituted-hetero-cyclopentanones and cyclopentenones and derivatives thereof acting at muscarinic receptors | WARNER-LAMBERT COMPANY (US) | 1991-11-19 | — | — | US | disclosed |