⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2906197 | 0.90 | — | — | |
| SCHEMBL5852508 | 0.87 | — | — | |
| SCHEMBL2910206 | 0.83 | — | — | |
| SCHEMBL14861402 | 0.83 | — | — | |
| SCHEMBL5852528 | 0.83 | EP300 (0.31) | — | |
| SCHEMBL5854614 | 0.83 | ALDH1A1 (0.32) | — | |
| SCHEMBL5854603 | 0.81 | — | — | |
| SCHEMBL2611785 | 0.80 | CHRM2 (0.33) | — | |
| SCHEMBL118416 | 0.79 | SSTR4 (0.36) | — | |
| SCHEMBL26353589 | 0.79 | SSTR4 (0.36) | — |
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-2632554-B1 | PERFUME | SYMRISE AG (DE) | 2017-01-04 | — | — | EP | disclosed |
| EP-1492759-B1 | NOVEL ALICYCLIC ESTERS HAVING A MUSKY SMELL | SYMRISE GMBH & CO KG (DE) | 2010-08-04 | — | — | EP | disclosed |
| US-7064102-B2 | Alicyclic esters having a musky smell | SYMRISE GMBH & CO, KG (DE) | 2006-06-20 | — | — | US | disclosed |
| US-20050182273-A1 | Novel alicyclic esters having a musky smell | SYMRISE AG (DE) | 2005-08-18 | — | — | US | disclosed |
| EP-1492759-A2 | NOVEL ALICYCLIC ESTERS HAVING A MUSKY SMELL | Symrise GmbH & Co. KG (DE) | 2005-01-05 | — | — | EP | disclosed |
| WO-2003082799-A2 | ALICYCLIC ESTERS HAVING A MUSKY SMELL | SYMRISE GMBH & CO. KG (DE) | 2003-10-09 | — | — | WO | disclosed |