⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4582309 | 0.85 | PTPN1 (0.32) | — | |
| SCHEMBL21333676 | 0.79 | — | — | |
| SCHEMBL21333674 | 0.79 | — | — | |
| SCHEMBL11599880 | 0.78 | — | — | |
| SCHEMBL16646416 | 0.77 | — | — | |
| SCHEMBL22832069 | 0.76 | — | — | |
| SCHEMBL9188325 | 0.75 | — | — | |
| SCHEMBL25784650 | 0.75 | — | — | |
| SCHEMBL25782673 | 0.75 | — | — | |
| SCHEMBL8438958 | 0.73 | — | — |
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 |