⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6538697 | 0.80 | — | — | |
| SCHEMBL28159414 | 0.76 | — | — | |
| SCHEMBL21889569 | 0.75 | — | — | |
| SCHEMBL28119348 | 0.74 | TP53 (0.41) | — | |
| SCHEMBL6538184 | 0.71 | — | — | |
| SCHEMBL12654706 | 0.71 | GBA1 (0.33) | — | |
| SCHEMBL13349587 | 0.71 | KDM4E (0.32) | — | |
| SCHEMBL27934121 | 0.71 | NOS3 (0.32) | — | |
| SCHEMBL12654278 | 0.71 | NOS3 (0.32) | — | |
| SCHEMBL13187356 | 0.70 | NOS3 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008071025-A1 | CYCLOALKENYL BUTENONES AND FRAGRANCE COMPOSITIONS COMPRISING THEM | GIVAUDAN SA (CH) | 2008-06-19 | — | — | WO | disclosed |