⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17800693 | 0.79 | — | — | |
| SCHEMBL17800673 | 0.79 | — | — | |
| SCHEMBL17800682 | 0.66 | — | — | |
| SCHEMBL17816397 | 0.62 | — | — | |
| SCHEMBL17800687 | 0.61 | P2RX7 (0.31) | — | |
| SCHEMBL17800667 | 0.60 | P2RX7 (0.30) | — | |
| SCHEMBL17800690 | 0.60 | P2RX7 (0.37) | — | |
| SCHEMBL1413331 | 0.58 | — | — | |
| SCHEMBL17800708 | 0.58 | — | — | |
| SCHEMBL17800668 | 0.57 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9862732-B2 | Regioselective 1,2-dearomatization of functionalized azines by organolanthanide catalysts | NORTHWESTERN UNIVERSITY (US) | 2018-01-09 | — | — | US | claimed |
| US-20160159825-A1 | Regioselective 1,2-Dearomatization of Functionalized Azines by Organolanthanide Catalysts | NATIONAL SCIENCE FOUNDATION | 2016-06-09 | — | — | US | claimed |
| US-9862732-B2 | Regioselective 1,2-dearomatization of functionalized azines by organolanthanide catalysts | NORTHWESTERN UNIVERSITY (US) | 2018-01-09 | — | — | US | disclosed |
| US-20160159825-A1 | Regioselective 1,2-Dearomatization of Functionalized Azines by Organolanthanide Catalysts | NATIONAL SCIENCE FOUNDATION | 2016-06-09 | — | — | US | disclosed |