⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9435416 | 1.00 | — | — | |
| SCHEMBL1867686 | 0.93 | — | — | |
| SCHEMBL1867688 | 0.93 | — | — | |
| SCHEMBL8167932 | 0.93 | — | — | |
| SCHEMBL7800090 | 0.85 | — | — | |
| SCHEMBL9803978 | 0.85 | — | — | |
| SCHEMBL1828202 | 0.80 | — | — | |
| SCHEMBL9261325 | 0.78 | — | — | |
| SCHEMBL24434697 | 0.76 | — | — | |
| SCHEMBL24434766 | 0.76 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2804939-A2 | PERFUME SYSTEMS | The Procter and Gamble Company (US) | 2014-11-26 | — | — | EP | disclosed |
| EP-2804579-A1 | NOVEL ORGANOLEPTIC COMPOUNDS | International Flavors & Fragrances Inc. (US) | 2014-11-26 | — | — | EP | disclosed |
| WO-2013109798-A2 | PERFUME SYSTEMS | THE PROCTER & GAMBLE COMPANY (US) | 2013-07-25 | — | — | WO | disclosed |
| WO-2013109837-A1 | NOVEL ORGANOLEPTIC COMPOUNDS | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 2013-07-25 | — | — | WO | disclosed |
| WO-2004056923-A1 | RUBBER COMPOUND BASED ON HIGH-MOLECULAR METHYLVINYL-SILOXANE RUBBER | ZAKRYTOE AKTSIONERNOE OBSCHESTVO 'SPETSKABEL' (RU) | 2004-07-08 | — | — | WO | disclosed |
| WO-1994004528-A1 | ETHER-CONTAINING INHIBITORS OF 5-LIPOXYGENASE | ABBOTT LABORATORIES (US) | 1994-03-03 | — | — | WO | disclosed |