⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7180618 | 1.00 | — | — | |
| SCHEMBL8010099 | 0.87 | CA1 (0.33) | — | |
| SCHEMBL10558780 | 0.83 | — | — | |
| SCHEMBL13631509 | 0.79 | — | — | |
| SCHEMBL5954896 | 0.79 | — | — | |
| SCHEMBL19313957 | 0.79 | — | — | |
| SCHEMBL16978664 | 0.79 | — | — | |
| SCHEMBL4483403 | 0.79 | — | — | |
| SCHEMBL15674083 | 0.79 | — | — | |
| SCHEMBL13912783 | 0.78 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0824962-B1 | USE OF AN OXIDATION CATALYST SYSTEM AND PROCESS FOR OXIDATION WITH THE SAME | DAICEL CHEM (JP) | 2003-05-07 | — | — | EP | disclosed |
| EP-1258292-A1 | Oxidation catalytic system and oxidation process using same | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2002-11-20 | — | — | EP | disclosed |
| US-5958821-A | EPOXIDATION OF AN ALKENE USING A CYCLIC N-HYDROXYIMIDE AND A COCATALYST OF A COMPOUND OF A GROUP 2A OR TRANSITION METAL USING OXYGEN; CATALYST SELECTIVITY; FREE OF PHOSPHO-VANADOMOLYBDIC ACID OR TETRAPHENYLPORPHYRINTOATO MANGANESE | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 1999-09-28 | — | — | US | disclosed |
| EP-0824962-A1 | OXIDATION CATALYST SYSTEM AND PROCESS FOR OXIDATION WITH THE SAME | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 1998-02-25 | — | — | EP | disclosed |