⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL651428 | 0.47 | MEN1 (0.75) | — | |
| SCHEMBL338790 | 0.47 | MEN1 (0.75) | — | |
| SCHEMBL51949 | 0.46 | — | — | |
| SCHEMBL15756492 | 0.44 | — | — | |
| Water SCHEMBL7153814 | 0.44 | MEN1 (0.67) | — | |
| Water SCHEMBL28395992 | 0.44 | MEN1 (0.67) | — | |
| SCHEMBL30270515 | 0.44 | MEN1 (0.67) | — | |
| Water SCHEMBL1518871 | 0.44 | MEN1 (0.67) | — | |
| Water SCHEMBL4379599 | 0.44 | MEN1 (0.67) | — | |
| Water SCHEMBL2177000 | 0.44 | MEN1 (0.67) | — |
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-0483055-A1 | Triazacyclohexane derivatives | CIBA-GEIGY AG (CH) | 1992-04-29 | — | — | EP | disclosed |