⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13696003 | 1.00 | — | — | |
| SCHEMBL13618927 | 1.00 | — | — | |
| SCHEMBL19876052 | 1.00 | — | — | |
| SCHEMBL16976716 | 0.97 | — | — | |
| SCHEMBL18049566 | 0.97 | — | — | |
| SCHEMBL16095653 | 0.91 | — | — | |
| SCHEMBL14671356 | 0.91 | — | — | |
| SCHEMBL14858994 | 0.83 | CA1 (0.32) | — | |
| SCHEMBL14075143 | 0.79 | CA1 (0.33) | — | |
| SCHEMBL17546706 | 0.79 | THRB (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-11479867-B2 | Electrocatalytic alkene diazidation | CORNELL UNIVERSITY (US) | 2022-10-25 | — | — | US | disclosed |