⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2221778 | 0.96 | KDM4E (0.51) | — | |
| SCHEMBL3819009 | 0.94 | KDM4E (0.50) | — | |
| SCHEMBL7199479 | 0.83 | — | — | |
| SCHEMBL28815447 | 0.83 | — | — | |
| SCHEMBL16151463 | 0.83 | — | — | |
| SCHEMBL11595453 | 0.83 | KDM4E (0.49) | — | |
| SCHEMBL11107701 | 0.83 | NPC1 (0.44) | — | |
| SCHEMBL3817854 | 0.81 | KDM4E (0.47) | — | |
| Ethylene Glycol SCHEMBL28420640 | 0.81 | NPC1 (0.41) | — | |
| SCHEMBL3818006 | 0.80 | KDM4E (0.46) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2004083446-A | EQUILIBRIUM MIXTURE, ITS MANUFACTURING METHOD AND METHOD FOR MANUFACTURING 1-ALKOXY-2-OXABICYCLOOCTANE COMPOUND | NIPPON ZEON CO LTD | 2004-03-18 | — | — | JP | disclosed |
| US-4055564-A | Novel prostaglandin intermediates and process for the production thereof | SYNTEX (U.S.A.) INC. (US) | 1977-10-25 | — | — | US | disclosed |
| US-3998852-A | NOVEL PROSTAGLANDIN INTERMEDIATES AND PROCESS FOR THE PRODUCTION THEREOF | SYNTEX (U.S.A.) INC. (US) | 1976-12-21 | — | — | US | disclosed |