⚠ 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 | |
|---|---|---|---|---|
| Butane SCHEMBL6308269 | 0.89 | — | — | |
| SCHEMBL7130267 | 0.78 | — | — | |
| SCHEMBL4447441 | 0.74 | — | — | |
| SCHEMBL3537548 | 0.74 | — | — | |
| SCHEMBL29273944 | 0.74 | — | — | |
| Butane SCHEMBL6847120 | 0.67 | — | — | |
| SCHEMBL5964938 | 0.63 | — | — | |
| SCHEMBL28150432 | 0.63 | — | — | |
| SCHEMBL371293 | 0.63 | — | — | |
| SCHEMBL3644602 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1077927-A1 | NOVEL SUBSTITUTED CYCLIC COMPOUNDS, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | ADIR ET COMPAGNIE (FR) | 2001-02-28 | — | — | EP | disclosed |
| WO-1999058495-A1 | NOVEL SUBSTITUTED CYCLIC COMPOUNDS, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | ADIR ET COMPAGNIE (FR) | 1999-11-18 | — | — | WO | disclosed |