⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17534899 | 1.00 | — | — | |
| SCHEMBL17534897 | 1.00 | — | — | |
| SCHEMBL8390012 | 0.93 | — | — | |
| SCHEMBL29908520 | 0.93 | — | — | |
| SCHEMBL14334894 | 0.78 | CA1 (0.45) | — | |
| SCHEMBL14334895 | 0.78 | CA1 (0.45) | — | |
| SCHEMBL25796666 | 0.78 | CA1 (0.45) | — | |
| SCHEMBL24035227 | 0.76 | CA1 (0.46) | — | |
| SCHEMBL4320907 | 0.72 | KMT2A (0.52) | — | |
| SCHEMBL7908817 | 0.72 | KMT2A (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9637707-B2 | Cyclododecadienone derivatives as perfuming ingredients | FIRMENICH SA (CH) | 2017-05-02 | — | — | US | disclosed |
| US-20160060569-A1 | CYCLODODECADIENONE DERIVATIVES AS PERFUMING INGREDIENTS | FIRMENICH SA (CH) | 2016-03-03 | — | — | US | disclosed |