⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8942113 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL3861041 | 0.64 | — | — | |
| SCHEMBL4638597 | 0.59 | — | — | |
| SCHEMBL9129880 | 0.57 | — | — | |
| SCHEMBL11797832 | 0.57 | — | — | |
| SCHEMBL14932121 | 0.57 | — | — | |
| SCHEMBL5967952 | 0.56 | — | — | |
| SCHEMBL1760199 | 0.56 | — | — | |
| SCHEMBL3677331 | 0.54 | — | — | |
| SCHEMBL72400 | 0.53 | — | — |
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-5514793-A | 1,3,6-trialkylhexahydro-1,3,6-triazocine-2-on and preparation process thereof | MITSUI TOATSU CHEMICALS, INC. (JP) | 1996-05-07 | — | — | US | disclosed |