⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12192199 | 0.74 | — | — | |
| SCHEMBL1096504 | 0.70 | — | — | |
| SCHEMBL1290911 | 0.61 | NUDT1 (0.61) | — | |
| SCHEMBL2464585 | 0.60 | — | — | |
| SCHEMBL22931024 | 0.60 | — | — | |
| SCHEMBL534872 | 0.60 | — | — | |
| Ethane SCHEMBL28243367 | 0.57 | LMNA (0.47) | — | |
| Methylamine SCHEMBL7947669 | 0.57 | LMNA (0.47) | — | |
| SCHEMBL36733 | 0.56 | — | — | |
| SCHEMBL664729 | 0.56 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2609173-B1 | FLAME PROTECTION AGENT COMPOSITIONS CONTAINING TRIAZINE INTERCALATED METAL PHOSPHATES | HUBER CORP J M (US) | 2018-02-28 | — | — | EP | disclosed |