⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14049617 | 1.00 | — | — | |
| SCHEMBL2846354 | 1.00 | — | — | |
| SCHEMBL13073809 | 1.00 | — | — | |
| SCHEMBL1931724 | 0.88 | — | — | |
| SCHEMBL29886820 | 0.88 | — | — | |
| SCHEMBL1931727 | 0.88 | — | — | |
| SCHEMBL15771705 | 0.78 | — | — | |
| SCHEMBL106894 | 0.78 | — | — | |
| SCHEMBL106893 | 0.78 | — | — | |
| SCHEMBL5868370 | 0.72 | ALDH1A1 (0.39) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100130758-A1 | METHOD FOR PRODUCING CARBONYL COMPOUND | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2010-05-27 | — | — | US | disclosed |
| EP-2130583-A1 | METHOD FOR PRODUCING CARBONYL COMPOUND | Daicel Chemical Industries, Ltd. (JP) | 2009-12-09 | — | — | EP | disclosed |
| US-7384906-B2 | Aliphatic compounds as fragrants with musk characteristics | GIVANDAN SA (CH) | 2008-06-10 | — | — | US | disclosed |
| EP-1565420-B1 | ALIPHATIC COMPOUNDS AS FRAGRANTS WITH MUSK CHARACTERISTICS | GIVAUDAN SA (CH) | 2006-10-18 | — | — | EP | disclosed |
| US-20060052277-A1 | Aliphatic compounds as fragrants with musk characteristics | GIVAUDAN SA (CH) | 2006-03-09 | — | — | US | disclosed |
| EP-1565420-A1 | ALIPHATIC COMPOUNDS AS FRAGRANTS WITH MUSK CHARACTERISTICS | Givaudan SA (CH) | 2005-08-24 | — | — | EP | disclosed |
| WO-2004050595-A1 | ALIPHATIC COMPOUNDS AS FRAGRANTS WITH MUSK CHARACTERISTICS | GIVAUDAN SA (CH) | 2004-06-17 | — | — | WO | disclosed |
| US-5178793-A | Chiral epoxy ethers with phenyl and pyridine or pyrimidine ring | UNIVERSITY RESEARCH CORPORATION (US) | 1993-01-12 | — | — | US | disclosed |