⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9309839 | 0.83 | — | — | |
| SCHEMBL9309609 | 0.82 | — | — | |
| SCHEMBL668620 | 0.75 | HSD17B10 (0.32) | — | |
| SCHEMBL9311401 | 0.75 | — | — | |
| SCHEMBL9577001 | 0.66 | — | — | |
| Formaldehyde SCHEMBL14736203 | 0.66 | — | — | |
| SCHEMBL3430474 | 0.64 | HSD17B10 (0.37) | — | |
| SCHEMBL5804830 | 0.63 | HSD17B10 (0.36) | — | |
| SCHEMBL313536 | 0.62 | MAPT (0.37) | — | |
| SCHEMBL1088949 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5292614-A | Bis(triaminotriazine) | MITSUBISHI KASEI CORPORATION (JP) | 1994-03-08 | — | — | US | disclosed |