⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3438897 | 0.69 | DRD4 (0.38) | — | |
| SCHEMBL20757542 | 0.67 | — | — | |
| SCHEMBL23960325 | 0.67 | — | — | |
| SCHEMBL18459800 | 0.62 | — | — | |
| SCHEMBL18508429 | 0.60 | — | — | |
| SCHEMBL21136356 | 0.60 | — | — | |
| SCHEMBL791484 | 0.60 | — | — | |
| SCHEMBL3438949 | 0.59 | — | — | |
| SCHEMBL22757768 | 0.57 | ALDH1A1 (0.32) | — | |
| SCHEMBL18063418 | 0.57 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20120101271-A1 | DIAMINE SYNTHESIS VIA CATALYTIC C-H AMINATION OF AZIDES | NATIONAL SCIENCE FOUNDATION | 2012-04-26 | — | — | US | disclosed |
| US-20120101271-A1 | DIAMINE SYNTHESIS VIA CATALYTIC C-H AMINATION OF AZIDES | NATIONAL SCIENCE FOUNDATION | 2012-04-26 | — | — | US | disclosed |