⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL637506 | 0.80 | — | — | |
| SCHEMBL10596190 | 0.80 | — | — | |
| SCHEMBL537196 | 0.71 | — | — | |
| SCHEMBL444662 | 0.71 | — | — | |
| SCHEMBL21753857 | 0.69 | — | — | |
| Isopropylamine SCHEMBL19813885 | 0.68 | — | — | |
| Isopropylamine SCHEMBL2909 | 0.68 | — | — | |
| Isopropylamine SCHEMBL30440281 | 0.68 | — | — | |
| SCHEMBL22719 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL9744863 | 0.67 | — | — |
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-10226201-B2 | Flow regulation device for breath analysis and related method | INVOY HOLDINGS, LLC (US) | 2019-03-12 | — | — | US | disclosed |