⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18652389 | 0.74 | — | — | |
| SCHEMBL18768767 | 0.70 | — | — | |
| SCHEMBL18566756 | 0.70 | — | — | |
| SCHEMBL14528851 | 0.70 | — | — | |
| SCHEMBL16312906 | 0.67 | — | — | |
| SCHEMBL135427 | 0.66 | — | — | |
| SCHEMBL336845 | 0.66 | — | — | |
| SCHEMBL14042634 | 0.65 | — | — | |
| SCHEMBL19983058 | 0.65 | TDP1 (0.34) | — | |
| SCHEMBL1627307 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2007735-B1 | 2-SUBSTITUTED 4-BENZYLPHTHALAZINONE DERIVATIVES AS HISTAMINE H1 AND H3 ANTAGONISTS | GLAXO GROUP LTD (GB) | 2010-10-27 | — | — | EP | disclosed |