⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19851939 | 0.80 | — | — | |
| SCHEMBL23365675 | 0.78 | — | — | |
| SCHEMBL14707996 | 0.72 | — | — | |
| SCHEMBL22191932 | 0.72 | — | — | |
| SCHEMBL21315949 | 0.72 | — | — | |
| SCHEMBL23346751 | 0.72 | — | — | |
| SCHEMBL18542239 | 0.72 | — | — | |
| SCHEMBL20902026 | 0.70 | — | — | |
| SCHEMBL26830461 | 0.67 | — | — | |
| SCHEMBL21251236 | 0.66 | — | — |
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-2008030466-A1 | PHTHALAZINE, AZA- AND DIAZA-PHTHALAZINE COMPOUNDS AND METHODS OF USE | AMGEN INC. (US) | 2008-03-13 | — | — | WO | disclosed |