⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL731705 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL27306633 | 0.94 | HCAR2 (0.32) | — | |
| SCHEMBL1505178 | 0.93 | — | — | |
| SCHEMBL27007968 | 0.93 | HSP90AA1 (0.36) | — | |
| SCHEMBL904361 | 0.86 | — | — | |
| Water SCHEMBL10918567 | 0.86 | — | — | |
| SCHEMBL25412605 | 0.86 | — | — | |
| Bromide SCHEMBL7114712 | 0.86 | — | — | |
| Iodide SCHEMBL9401195 | 0.86 | — | — | |
| Bromide SCHEMBL9185833 | 0.86 | — | — |
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-0078784-A1 | Thio-substituted-1,3,5-triazine-diamines and -triamines useful as prevulcanization inhibitors | MONSANTO COMPANY (US) | 1983-05-11 | — | — | EP | disclosed |