⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22122554 | 0.84 | CA1 (0.30) | — | |
| SCHEMBL14602349 | 0.76 | — | — | |
| SCHEMBL5393860 | 0.73 | APOBEC3A (0.33) | — | |
| SCHEMBL5405447 | 0.72 | CRBN (0.37) | — | |
| SCHEMBL16194686 | 0.68 | MAOB (0.51) | — | |
| SCHEMBL13517748 | 0.67 | POLB (0.36) | — | |
| SCHEMBL13518834 | 0.67 | — | — | |
| SCHEMBL24227954 | 0.65 | APAF1 (0.33) | — | |
| SCHEMBL14485666 | 0.65 | — | — | |
| SCHEMBL31096928 | 0.63 | TP53 (0.31) | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7253141-B2 | Musk odorant compounds | FIRMENICH SA (CH) | 2007-08-07 | — | — | US | claimed |
| EP-1689728-B1 | MUSK ODORANT COMPOUNDS | FIRMENICH & CIE (CH) | 2007-04-11 | — | — | EP | claimed |
| US-20060211598-A1 | Musk odorant compounds | FIRMENICH SA (CH) | 2006-09-21 | — | — | US | claimed |
| EP-1689728-A1 | MUSK ODORANT COMPOUNDS | FIRMENICH SA (CH) | 2006-08-16 | — | — | EP | claimed |
| WO-2005054220-A1 | MUSK ODORANT COMPOUNDS | FIRMENICH SA (CH) | 2005-06-16 | — | — | WO | claimed |
| US-9284514-B2 | Penta/hexamethyl-3,4,5,8-tetrahydro-1(2H)-naphthalenone derivatives with aromatic notes | FIRMENICH SA (CH) | 2016-03-15 | — | — | US | disclosed |
| EP-2729437-B1 | PENTA/HEXAMETHYL-3,4,5,8-TETRAHYDRO-1(2H)-NAPHTHALENONE DERIVATIVES WITH AROMATIC NOTES | FIRMENICH & CIE (CH) | 2015-04-15 | — | — | EP | disclosed |
| US-20140148376-A1 | PENTA/HEXAMETHYL-3,4,5,8-TETRAHYDRO-1(2H)-NAPHTHALENONE DERIVATIVES WITH AROMATIC NOTES | FIRMENICH SA (CH) | 2014-05-29 | — | — | US | disclosed |
| EP-2729437-A1 | MUSK ODORANT WITH AROMATIC NOTES | Firmenich SA (CH) | 2014-05-14 | — | — | EP | disclosed |
| WO-2013004476-A1 | MUSK ODORANT WITH AROMATIC NOTES | FIRMENICH SA (CH) | 2013-01-10 | — | — | WO | disclosed |
| US-7253141-B2 | Musk odorant compounds | FIRMENICH SA (CH) | 2007-08-07 | — | — | US | disclosed |
| EP-1689728-B1 | MUSK ODORANT COMPOUNDS | FIRMENICH & CIE (CH) | 2007-04-11 | — | — | EP | disclosed |
| US-20060211598-A1 | Musk odorant compounds | FIRMENICH SA (CH) | 2006-09-21 | — | — | US | disclosed |
| EP-1689728-A1 | MUSK ODORANT COMPOUNDS | FIRMENICH SA (CH) | 2006-08-16 | — | — | EP | disclosed |
| WO-2005054220-A1 | MUSK ODORANT COMPOUNDS | FIRMENICH SA (CH) | 2005-06-16 | — | — | WO | disclosed |