⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2417544 | 0.67 | — | — | |
| SCHEMBL1252691 | 0.62 | — | — | |
| SCHEMBL13482389 | 0.59 | — | — | |
| SCHEMBL2183460 | 0.59 | — | — | |
| SCHEMBL2524856 | 0.55 | ALDH1A1 (0.61) | — | |
| SCHEMBL1254172 | 0.55 | ALDH1A1 (0.61) | — | |
| SCHEMBL4321187 | 0.54 | — | — | |
| SCHEMBL4321188 | 0.54 | — | — | |
| SCHEMBL14446959 | 0.54 | — | — | |
| SCHEMBL11071891 | 0.54 | TRPA1 (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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2750720-B1 | PROCESS FOR CONTROLLING MALODORS USING OXAZOLIDINES | HENKEL AG & CO KGAA (DE) | 2015-09-30 | — | — | EP | claimed |
| US-9006168-B2 | Odorant composition containing allyl ethers as odorant precursors | HENKEL AG & CO., KGAA (DE) | 2015-04-14 | — | — | US | claimed |
| US-20110237685-A1 | PHOTOLABILE FRAGRANCE STORAGE SUBSTANCES | HENKEL AG & CO. KGAA (DE) | 2011-09-29 | — | — | US | claimed |
| US-9217126-B2 | Photolabile fragrance storage substances | HENKEL AG & CO. KGAA (DE) | 2015-12-22 | — | — | US | disclosed |
| US-20110237685-A1 | PHOTOLABILE FRAGRANCE STORAGE SUBSTANCES | HENKEL AG & CO. KGAA (DE) | 2011-09-29 | — | — | US | disclosed |
| US-4198532-A | 2,5,7-TIRMETHYL-OCTAN-3-OL OR 6,8-DIMETHYL-NONAN-2-OL | GIVAUDAN CORPORATION (US) | 1980-04-15 | — | — | US | disclosed |