⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21728047 | 0.64 | — | — | |
| SCHEMBL11126006 | 0.64 | — | — | |
| SCHEMBL203193 | 0.64 | — | — | |
| SCHEMBL13049839 | 0.64 | — | — | |
| SCHEMBL5005836 | 0.61 | — | — | |
| SCHEMBL19053 | 0.61 | — | — | |
| SCHEMBL11768409 | 0.61 | — | — | |
| SCHEMBL10911468 | 0.57 | — | — | |
| Bromide SCHEMBL10644201 | 0.57 | — | — | |
| Hydrogen Peroxide SCHEMBL4288872 | 0.57 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-57102849-A | — | — | None | — | — | JP | disclosed |
| JP-S57102849-A | TRIIODOALLYLAMINE DERIVATIVE AND ANTIFUNGAL AND ANTISEPTIC AGENT CONTAINING SAID DERIVATIVE AS ACTIVE COMPONENT | SANKYO CO LTD | 1982-06-26 | — | — | JP | disclosed |