⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16637915 | 0.86 | — | — | |
| SCHEMBL30082044 | 0.86 | — | — | |
| SCHEMBL30082038 | 0.86 | — | — | |
| SCHEMBL18059669 | 0.86 | — | — | |
| SCHEMBL16644682 | 0.86 | — | — | |
| SCHEMBL16637916 | 0.86 | — | — | |
| SCHEMBL30082050 | 0.82 | — | — | |
| SCHEMBL22096612 | 0.81 | — | — | |
| SCHEMBL19465229 | 0.81 | — | — | |
| SCHEMBL10139623 | 0.81 | — | — |
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-20160257684-A1 | NITROGEN CONTAINING COMPOUNDS AND THEIR USE | WOCKHARDT LIMITED (IN) | 2016-09-08 | — | — | US | disclosed |
| US-9434728-B1 | Nitrogen containing compounds and their use | WOCKHARDT LIMITED (IN) | 2016-09-06 | — | — | US | disclosed |