⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24490416 | 0.82 | — | — | |
| SCHEMBL23864904 | 0.80 | — | — | |
| SCHEMBL22694558 | 0.80 | — | — | |
| SCHEMBL23864847 | 0.77 | — | — | |
| SCHEMBL13995290 | 0.77 | — | — | |
| SCHEMBL21601966 | 0.77 | — | — | |
| SCHEMBL15203160 | 0.77 | — | — | |
| SCHEMBL15978646 | 0.77 | — | — | |
| SCHEMBL23314541 | 0.76 | TDP1 (0.30) | — | |
| SCHEMBL23314837 | 0.76 | TDP1 (0.30) | — |
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-2017210407-A1 | PROCESS FOR PREPARING N-(5-(3-(7-(3-FLUOROPHENYL)-3H-IMIDAZO[4,5-C]PYRIDIN-2-YL)-1H-INDAZOL-5-YL)PYRIDIN-3-YL)-3-METHYLBUTANAMIDE | SAMUMED, LLC (US) | 2017-12-07 | — | — | WO | disclosed |