⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL291625 | 0.70 | — | — | |
| SCHEMBL4801599 | 0.70 | — | — | |
| SCHEMBL4641826 | 0.70 | — | — | |
| SCHEMBL4767353 | 0.69 | — | — | |
| SCHEMBL2402958 | 0.68 | — | — | |
| SCHEMBL8105944 | 0.68 | — | — | |
| SCHEMBL12593799 | 0.67 | — | — | |
| Bromide SCHEMBL11114085 | 0.67 | — | — | |
| SCHEMBL5252500 | 0.67 | — | — | |
| SCHEMBL9291101 | 0.65 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1294671-B1 | UTILISATION OF KETONES AS PRECURSORS OF ACTIVE COMPOUNDS | FIRMENICH & CIE (CH) | 2008-10-15 | — | — | EP | disclosed |
| US-6949680-B2 | Ketones as precursors of active compounds | FIRMENICH SA (CH) | 2005-09-27 | — | — | US | disclosed |
| US-20030129212-A1 | Ketones as precursors of active compounds | FIRMENICH SA (CH) | 2003-07-10 | — | — | US | disclosed |
| EP-1294671-A2 | UTILISATION OF KETONES AS PRECURSORS OF ACTIVE COMPOUNDS | FIRMENICH SA (CH) | 2003-03-26 | — | — | EP | disclosed |
| WO-2001096272-A2 | UTILISATION OF KETONES AS PRECURSORS OF ACTIVE COMPOUNDS | FIRMENICH SA (CH) | 2001-12-20 | — | — | WO | disclosed |