⚠ 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 | |
|---|---|---|---|---|
| Choline SCHEMBL8313700 | 0.88 | — | — | |
| SCHEMBL8309019 | 0.84 | — | — | |
| Choline SCHEMBL8311472 | 0.74 | — | — | |
| Choline SCHEMBL7506069 | 0.61 | — | — | |
| SCHEMBL7502306 | 0.60 | DAO (0.35) | — | |
| Water SCHEMBL27696962 | 0.56 | — | — | |
| Gimeracil SCHEMBL4940676 | 0.50 | — | — | |
| SCHEMBL983024 | 0.49 | NPSR1 (0.46) | — | |
| SCHEMBL1630091 | 0.49 | — | — | |
| SCHEMBL15701735 | 0.47 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0931081-A1 | PYRIDAZINO 4,5-B]-QUINOLINE 5-OXIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS GLYCINE ANTAGONISTS | MERZ + CO. GmbH & Co. (DE) | 1999-07-28 | — | — | EP | disclosed |
| WO-1998004556-A1 | PYRIDAZINO [4,5-B]-QUINOLINE 5-OXIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS GLYCINE ANTAGONISTS | MERZ + CO. GMBH & CO. (DE) | 1998-02-05 | — | — | WO | disclosed |