⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28194790 | 0.74 | — | — | |
| SCHEMBL28266002 | 0.74 | — | — | |
| SCHEMBL27985186 | 0.71 | ALDH1A1 (0.35) | — | |
| SCHEMBL28295721 | 0.68 | ALDH1A1 (0.33) | — | |
| SCHEMBL1703803 | 0.65 | — | — | |
| Pyridine SCHEMBL28875144 | 0.65 | TRIM24 (0.39) | — | |
| SCHEMBL28302067 | 0.63 | IDH1 (0.43) | — | |
| SCHEMBL12129057 | 0.59 | ALDH1A1 (0.67) | — | |
| SCHEMBL28947850 | 0.58 | ALDH1A1 (0.34) | — | |
| SCHEMBL27981770 | 0.58 | ALDH1A1 (0.35) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108218874-B | Phosphodiesterase inhibitor and application thereof | 南京药捷安康生物科技有限公司 | 2020-10-30 | — | — | CN | disclosed |
| CN-104876935-B | 2-aminopyrrolo[1,2-f][1,2,4]triazine compounds, and synthesis method and application thereof | 南方医科大学 | 2017-04-19 | — | — | CN | disclosed |
| CN-104876935-A | 2-aminopyrrolo[1,2-f][1,2,4]triazine compounds, and synthesis method and application thereof | UNIV SOUTHERN MEDICAL | 2015-09-02 | — | — | CN | disclosed |