⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7141195 | 1.00 | — | — | |
| SCHEMBL7138546 | 0.98 | — | — | |
| SCHEMBL7138542 | 0.98 | — | — | |
| SCHEMBL8719203 | 0.92 | — | — | |
| SCHEMBL7991278 | 0.82 | — | — | |
| SCHEMBL8492365 | 0.82 | ALDH1A1 (0.34) | — | |
| SCHEMBL7991281 | 0.82 | — | — | |
| SCHEMBL12216595 | 0.80 | — | — | |
| SCHEMBL96256 | 0.80 | — | — | |
| SCHEMBL2179467 | 0.80 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1027317-B1 | REACTION OF ALKENES WITH EPOXIDES, THE PRODUCTS THEREOF AND THEIR USE AS FRAGRANCE COMPOUNDS | QUEST INT (NL) | 2003-04-02 | — | — | EP | disclosed |
| US-6444637-B1 | FORMING ALDEHYDE BY LEWIS ACID-CATALYZED REACTION OF ALKENE WITH EPOXIDE | QUEST INTERNATIONAL B.V. (NL) | 2002-09-03 | — | — | US | disclosed |
| EP-1027317-A1 | REACTION OF ALKENES WITH EPOXIDES, THE PRODUCTS THEREOF AND THEIR USE AS FRAGRANCE COMPOUNDS | QUEST INTERNATIONAL B.V. (NL) | 2000-08-16 | — | — | EP | disclosed |
| EP-0926121-A1 | Reaction of alkenes with epoxides, the products thereof and their use as fragrance compounds | QUEST INTERNATIONAL B.V. (NL) | 1999-06-30 | — | — | EP | disclosed |
| WO-1999021817-A1 | REACTION OF ALKENES WITH EPOXIDES, THE PRODUCTS THEREOF AND THEIR USE AS FRAGRANCE COMPOUNDS | QUEST INTERNATIONAL B.V. (NL) | 1999-05-06 | — | — | WO | disclosed |