⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7788012 | 1.00 | — | — | |
| SCHEMBL679987 | 0.76 | — | — | |
| SCHEMBL28703370 | 0.75 | HSD17B10 (0.37) | — | |
| SCHEMBL4419045 | 0.75 | MAPT (0.35) | — | |
| SCHEMBL2241240 | 0.74 | HSD17B10 (0.32) | — | |
| SCHEMBL27719970 | 0.72 | — | — | |
| SCHEMBL11598728 | 0.72 | MAPT (0.36) | — | |
| SCHEMBL40931 | 0.71 | — | — | |
| SCHEMBL16766421 | 0.71 | HSD17B10 (0.33) | — | |
| SCHEMBL4422411 | 0.71 | GAA (0.30) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0955285-B1 | Process and apparatus for production of 5-cyclohexadecen-1-one | TAKASAGO PERFUMERY CO LTD (JP) | 2001-11-14 | — | — | EP | disclosed |
| US-6169211-B1 | HEATING 1,2-DIVINYLCYCLODODECANOL IN THE VAPOR PHASE AT HIGH TEMPERATURE UNDER REDUCED PRESSURE TO FORM 5-CYCLOHEXADECEN-1-ONE | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2001-01-02 | — | — | US | disclosed |
| EP-0955285-A1 | Process and apparatus for production of 5-cyclohexadecen-1-one | Takasago International Corporation (JP) | 1999-11-10 | — | — | EP | disclosed |