⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19876982 | 0.89 | — | — | |
| Ammonia Solution, Strong SCHEMBL4138673 | 0.89 | — | — | |
| Ammonia Solution, Strong SCHEMBL690854 | 0.89 | — | — | |
| SCHEMBL19876981 | 0.80 | — | — | |
| Ammonia Solution, Strong SCHEMBL27510792 | 0.80 | — | — | |
| SCHEMBL8405899 | 0.80 | — | — | |
| Fluoride Ion SCHEMBL8757224 | 0.80 | — | — | |
| SCHEMBL15869348 | 0.78 | — | — | |
| SCHEMBL5640 | 0.78 | — | — | |
| SCHEMBL10417889 | 0.78 | — | — |
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-5019599-A | Containing A Diels-Alder Reaction Product And Optionally A Copper Compound | NIPPON ZEON CO., LTD. (JP) | 1991-05-28 | — | — | US | disclosed |