⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19321595 | 0.67 | — | — | |
| SCHEMBL2551319 | 0.63 | — | — | |
| SCHEMBL28856237 | 0.62 | — | — | |
| SCHEMBL18603953 | 0.62 | — | — | |
| SCHEMBL8930827 | 0.61 | — | — | |
| SCHEMBL19974500 | 0.61 | — | — | |
| SCHEMBL10938122 | 0.61 | — | — | |
| SCHEMBL28140098 | 0.60 | — | — | |
| SCHEMBL22129738 | 0.60 | — | — | |
| SCHEMBL27606758 | 0.59 | — | — |
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-1109623-A1 | NOVEL SOLID OXIDATION CATALYSTS, IN PARTICULAR FOR EPOXIDATION OF PROCHIRAL COMPOUNDS | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) | 2001-06-27 | — | — | EP | claimed |
| WO-2000003802-A1 | NOVEL SOLID OXIDATION CATALYSTS, IN PARTICULAR FOR EPOXIDATION OF PROCHIRAL COMPOUNDS | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) | 2000-01-27 | — | — | WO | claimed |
| EP-1109623-A1 | NOVEL SOLID OXIDATION CATALYSTS, IN PARTICULAR FOR EPOXIDATION OF PROCHIRAL COMPOUNDS | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) | 2001-06-27 | — | — | EP | disclosed |
| WO-2000003802-A1 | NOVEL SOLID OXIDATION CATALYSTS, IN PARTICULAR FOR EPOXIDATION OF PROCHIRAL COMPOUNDS | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) | 2000-01-27 | — | — | WO | disclosed |