⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6905336 | 0.74 | — | — | |
| SCHEMBL6795993 | 0.72 | ALDH1A1 (0.35) | — | |
| SCHEMBL11990811 | 0.71 | — | — | |
| SCHEMBL13404953 | 0.71 | — | — | |
| SCHEMBL11960736 | 0.67 | — | — | |
| SCHEMBL11512484 | 0.67 | — | — | |
| SCHEMBL11880052 | 0.67 | — | — | |
| SCHEMBL9961321 | 0.67 | — | — | |
| SCHEMBL15247346 | 0.67 | — | — | |
| SCHEMBL23183408 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120157451-A1 | RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF | GENENTECH, INC (US) | 2012-06-21 | — | — | US | disclosed |
| US-20080293712-A1 | Benzo[C][2,7]Naphtyridine Derivatives, Methods of Making Thereof and Methods of Use Thereof | WYETH (US) | 2008-11-27 | — | — | US | disclosed |