⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8292860 | 0.83 | — | — | |
| SCHEMBL5074697 | 0.78 | — | — | |
| SCHEMBL8238075 | 0.78 | — | — | |
| SCHEMBL18228943 | 0.71 | MAPT (0.34) | — | |
| SCHEMBL10323168 | 0.71 | MAPT (0.34) | — | |
| SCHEMBL8213778 | 0.71 | MAPT (0.34) | — | |
| SCHEMBL18228942 | 0.71 | MAPT (0.34) | — | |
| SCHEMBL8234929 | 0.69 | — | — | |
| SCHEMBL2958602 | 0.67 | — | — | |
| SCHEMBL16968087 | 0.66 | TSHR (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130065969-A9 | Odour Compounds | GIVAUDAN SA (CH) | 2013-03-14 | — | — | US | disclosed |
| US-20120184630-A1 | Odour Compounds | KRAFT PHILIP (CH) | 2012-07-19 | — | — | US | disclosed |
| EP-2475639-A2 | ODOUR COMPOUNDS | Givaudan SA (CH) | 2012-07-18 | — | — | EP | disclosed |
| WO-2011029895-A2 | ODOUR COMPOUNDS | GIVAUDAN SA (CH) | 2011-03-17 | — | — | WO | disclosed |