⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6997134 | 0.83 | EP300 (0.31) | — | |
| SCHEMBL7006533 | 0.83 | — | — | |
| SCHEMBL13817682 | 0.82 | — | — | |
| SCHEMBL2618629 | 0.78 | — | — | |
| SCHEMBL19696681 | 0.78 | — | — | |
| SCHEMBL1141561 | 0.74 | NAAA (0.32) | — | |
| SCHEMBL14997755 | 0.74 | NAAA (0.40) | — | |
| SCHEMBL17668300 | 0.74 | NAAA (0.40) | — | |
| SCHEMBL74710 | 0.74 | NAAA (0.40) | — | |
| SCHEMBL118634 | 0.72 | ALDH1A1 (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1081150-B1 | 4-Oxatricyclo(4.3.1.1-3,8)undecan-5-one derivatives and process for producing the same | DAICEL CHEM (JP) | 2003-10-29 | — | — | EP | disclosed |
| US-6486330-B1 | 4-oxatricyclo[4.3.1.1 3,8]undecan-5-one derivative and process for producing the same | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2002-11-26 | — | — | US | disclosed |
| EP-1081150-A1 | 4-Oxatricyclo(4.3.1.1-3,8)undecan-5-one derivatives and process for producing the same | Daicel Chemical Industries, Ltd. (JP) | 2001-03-07 | — | — | EP | disclosed |