⚠ 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 | |
|---|---|---|---|---|
| Propylamine SCHEMBL27622178 | 0.91 | — | — | |
| Propylamine SCHEMBL22659949 | 0.86 | — | — | |
| Propylamine SCHEMBL1330797 | 0.85 | — | — | |
| Propylamine SCHEMBL448871 | 0.85 | — | — | |
| Propylamine SCHEMBL9181 | 0.85 | — | — | |
| Propylamine SCHEMBL10877480 | 0.84 | — | — | |
| Propylamine SCHEMBL472507 | 0.84 | — | — | |
| Propylamine SCHEMBL23706286 | 0.80 | — | — | |
| Propylamine SCHEMBL8669078 | 0.80 | — | — | |
| Propylamine SCHEMBL11562665 | 0.80 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-107641115-A | The preparation method of Barasertib | 胡张艳 | 2018-01-30 | — | — | CN | claimed |
| CN-107641115-A | The preparation method of Barasertib | 胡张艳 | 2018-01-30 | — | — | CN | disclosed |