⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10460152 | 0.74 | — | — | |
| SCHEMBL28109507 | 0.74 | — | — | |
| SCHEMBL8872933 | 0.74 | — | — | |
| SCHEMBL3168555 | 0.74 | QDPR (0.32) | — | |
| SCHEMBL28344652 | 0.73 | — | — | |
| SCHEMBL1028407 | 0.72 | NPC1 (0.32) | — | |
| SCHEMBL10922111 | 0.71 | QDPR (0.40) | — | |
| SCHEMBL1898647 | 0.71 | — | — | |
| SCHEMBL28166840 | 0.71 | PDE4B (0.32) | — | |
| SCHEMBL3726178 | 0.69 | TLR9 (0.33) | — |
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-111235593-B | Synthesis method of nitrogen nitrosation product of secondary amine | 南京理工大学 | 2020-10-16 | — | — | CN | disclosed |
| CN-111235593-A | Synthesis method of nitrogen nitrosation product of secondary amine | 南京理工大学 | 2020-06-05 | — | — | CN | disclosed |