⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2374333 | 0.93 | — | — | |
| SCHEMBL28463217 | 0.86 | — | — | |
| Bromide SCHEMBL16237144 | 0.86 | — | — | |
| SCHEMBL27513310 | 0.86 | — | — | |
| SCHEMBL8749546 | 0.86 | — | — | |
| Benzene SCHEMBL28136791 | 0.76 | — | — | |
| Butane SCHEMBL3942609 | 0.72 | — | — | |
| Methoxymethane SCHEMBL27541730 | 0.68 | — | — | |
| Methoxymethane SCHEMBL6033316 | 0.68 | — | — | |
| SCHEMBL19096 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-85107303-A | The preparation method of iodo triaminobenzene compound | — | 1986-03-10 | — | — | CN | disclosed |