⚠ 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 SCHEMBL8311472 | 0.74 | — | — | |
| Choline SCHEMBL8313700 | 0.74 | — | — | |
| SCHEMBL7499243 | 0.63 | — | — | |
| SCHEMBL7508327 | 0.60 | PRMT5 (0.32) | — | |
| SCHEMBL16619462 | 0.57 | — | — | |
| SCHEMBL31210501 | 0.54 | MAPK1 (0.36) | — | |
| SCHEMBL22194226 | 0.49 | HPGD (0.37) | — | |
| SCHEMBL31211525 | 0.49 | — | — | |
| SCHEMBL1630091 | 0.49 | — | — | |
| SCHEMBL31726974 | 0.49 | ILK (0.38) | — |
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 | claimed |
| 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 | claimed |