⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27834582 | 0.86 | FDPS (0.31) | — | |
| SCHEMBL18633958 | 0.83 | — | — | |
| SCHEMBL23801839 | 0.83 | ACE2 (0.40) | — | |
| SCHEMBL16203293 | 0.82 | — | — | |
| SCHEMBL15133314 | 0.80 | — | — | |
| SCHEMBL18011115 | 0.80 | — | — | |
| SCHEMBL16926676 | 0.79 | — | — | |
| SCHEMBL18899564 | 0.79 | — | — | |
| SCHEMBL18080795 | 0.78 | — | — | |
| SCHEMBL30176795 | 0.77 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020061300-A1 | NOVEL ANNULATION CATALYSTS VIA DIRECT C-H BOND AMINATION | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2020-03-26 | — | — | WO | disclosed |