⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8872155 | 0.76 | — | — | |
| SCHEMBL17289492 | 0.70 | — | — | |
| SCHEMBL10965543 | 0.69 | — | — | |
| SCHEMBL8732690 | 0.69 | — | — | |
| SCHEMBL38651159 | 0.68 | — | — | |
| SCHEMBL7554956 | 0.68 | — | — | |
| SCHEMBL11794096 | 0.68 | — | — | |
| SCHEMBL29276979 | 0.67 | — | — | |
| SCHEMBL38662858 | 0.67 | — | — | |
| SCHEMBL10684686 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10428043-B2 | Green oxidation catalytic system | TRUSTEES OF BOSTON UNIVERSITY (US) | 2019-10-01 | — | — | US | disclosed |
| US-20180297976-A1 | GREEN OXIDATION CATALYTIC SYSTEM | TRUSTEES OF BOSTON UNIVERSITY (US) | 2018-10-18 | — | — | US | disclosed |
| WO-2016100850-A2 | GREEN OXIDATION CATALYTIC SYSTEM | TRUSTEES OF BOSTON UNIVERSITY (US) | 2016-06-23 | — | — | WO | disclosed |