⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30592881 | 0.74 | — | — | |
| SCHEMBL16416142 | 0.74 | — | — | |
| SCHEMBL21485047 | 0.72 | — | — | |
| SCHEMBL22111970 | 0.72 | — | — | |
| SCHEMBL25355528 | 0.69 | — | — | |
| SCHEMBL1444636 | 0.69 | — | — | |
| SCHEMBL22926524 | 0.68 | — | — | |
| SCHEMBL24269828 | 0.68 | — | — | |
| SCHEMBL11180440 | 0.68 | — | — | |
| SCHEMBL23514935 | 0.68 | — | — |
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-2882749-B1 | 4-METHYL-2,3,5,9,9B-PENTAAZA-CYCLOPENTA[A]NAPHTHALENES | BOEHRINGER INGELHEIM INT (DE) | 2018-04-04 | — | — | EP | disclosed |