⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL83007 | 0.86 | — | — | |
| SCHEMBL732006 | 0.86 | — | — | |
| SCHEMBL3280806 | 0.82 | CES1 (0.41) | — | |
| SCHEMBL27474176 | 0.79 | SMN1; SMN2 (0.50) | — | |
| SCHEMBL2461381 | 0.76 | — | — | |
| SCHEMBL736008 | 0.76 | — | — | |
| SCHEMBL3284142 | 0.76 | CES1 (0.37) | — | |
| SCHEMBL1805657 | 0.73 | — | — | |
| Ammonia Solution, Strong SCHEMBL28031424 | 0.73 | — | — | |
| SCHEMBL9845856 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1846436-B1 | INHIBITION OF SWEAT MALODOUR | FIRMENICH & CIE (CH) | 2012-09-12 | — | — | EP | disclosed |
| EP-1846436-A2 | INHIBITION OF SWEAT MALODOUR | Firmenich S.A. (CH) | 2007-10-24 | — | — | EP | disclosed |
| WO-2006079934-A2 | INHIBITION OF SWEAT MALODOUR | FIRMENICH SA (CH) | 2006-08-03 | — | — | WO | disclosed |
| US-4715369-A | COVERING WITH CELLULOSE ETHER AND POLYACRYLIC ACID | TEIJIN LIMITED (JP) | 1987-12-29 | — | — | US | disclosed |