⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4736148 | 1.00 | — | — | |
| SCHEMBL11785279 | 0.92 | — | — | |
| SCHEMBL11785277 | 0.92 | — | — | |
| SCHEMBL24806690 | 0.78 | — | — | |
| SCHEMBL8744021 | 0.78 | — | — | |
| SCHEMBL14534628 | 0.78 | — | — | |
| SCHEMBL10387000 | 0.75 | CA1 (0.41) | — | |
| SCHEMBL10387002 | 0.75 | CA1 (0.41) | — | |
| SCHEMBL10387003 | 0.75 | CA1 (0.41) | — | |
| SCHEMBL974938 | 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 |