⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18965383 | 0.85 | — | — | |
| SCHEMBL742740 | 0.85 | — | — | |
| SCHEMBL17113757 | 0.85 | — | — | |
| SCHEMBL17113756 | 0.85 | — | — | |
| SCHEMBL10149343 | 0.85 | — | — | |
| SCHEMBL1458596 | 0.80 | — | — | |
| SCHEMBL13168358 | 0.80 | — | — | |
| SCHEMBL6244017 | 0.80 | — | — | |
| SCHEMBL8821825 | 0.80 | — | — | |
| SCHEMBL14048559 | 0.80 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1078028-B1 | UTILIZATION OF MONOCYCLIC ALDEHYDES AS ODORIFEROUS AGENTS | KAO CORP (JP) | 2005-08-03 | — | — | EP | disclosed |
| US-6541446-B1 | Organoleptic mixture | COGNIS DEUTSCHLAND GMBH (DE) | 2003-04-01 | — | — | US | disclosed |
| EP-1078028-A1 | UTILIZATION OF MONOCYCLIC ALDEHYDES AS ODORIFEROUS AGENTS | Cognis Deutschland GmbH (DE) | 2001-02-28 | — | — | EP | disclosed |
| WO-1999054430-A1 | UTILIZATION OF MONOCYCLIC ALDEHYDES AS ODORIFEROUS AGENTS | COGNIS DEUTSCHLAND GMBH (DE) | 1999-10-28 | — | — | WO | disclosed |