⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1395997 | 0.93 | — | — | |
| SCHEMBL3654161 | 0.86 | — | — | |
| SCHEMBL9722671 | 0.86 | — | — | |
| SCHEMBL11014865 | 0.68 | — | — | |
| Calcium SCHEMBL671841 | 0.68 | — | — | |
| SCHEMBL25404221 | 0.66 | — | — | |
| SCHEMBL85 | 0.66 | — | — | |
| SCHEMBL19133 | 0.66 | — | — | |
| SCHEMBL1785790 | 0.66 | — | — | |
| Calcium SCHEMBL5187547 | 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-4354638-A | Spiral actuator for aerosol powdered suspension product | BRISTOL-MYERS COMPANY (US) | 1982-10-19 | — | — | US | disclosed |