⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4590465 | 0.86 | — | — | |
| SCHEMBL4590672 | 0.62 | ALDH1A1 (0.31) | — | |
| SCHEMBL19181987 | 0.61 | ALDH1A1 (0.36) | — | |
| SCHEMBL19475484 | 0.57 | ALDH1A1 (0.37) | — | |
| SCHEMBL14331466 | 0.56 | ALOX15 (0.48) | — | |
| SCHEMBL14323435 | 0.56 | ALOX15 (0.48) | — | |
| SCHEMBL2043569 | 0.55 | MAPK1 (0.38) | — | |
| SCHEMBL4867630 | 0.55 | ALOX15 (0.40) | — | |
| SCHEMBL237275 | 0.55 | ALOX15 (0.47) | — | |
| SCHEMBL28213391 | 0.55 | KMT2A (0.40) | — |
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-2008045543-A1 | SUBSTITUTED 4H-IMIDAZO [4, 5, 1-IJ] [1, 6] NAPHTHYRIDINE-9-AMINES AND THEIR PHARMACEUTICAL USE | COLEY PHARMACEUTICAL GROUP, INC. (US) | 2008-04-17 | — | — | WO | disclosed |