⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7506993 | 0.95 | — | — | |
| Choline SCHEMBL7511218 | 0.89 | — | — | |
| Choline SCHEMBL7507525 | 0.84 | — | — | |
| SCHEMBL7502306 | 0.80 | DAO (0.35) | — | |
| SCHEMBL7508327 | 0.80 | PRMT5 (0.32) | — | |
| Choline SCHEMBL7506069 | 0.79 | — | — | |
| SCHEMBL7504185 | 0.76 | DAO (0.36) | — | |
| SCHEMBL7502724 | 0.76 | ATM (0.42) | — | |
| SCHEMBL7549332 | 0.72 | CSNK2A1 (0.33) | — | |
| Choline SCHEMBL7505520 | 0.71 | — | — |
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-B1 | PYRIDAZINO 4,5-B]-QUINOLINE 5-OXIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS GLYCINE ANTAGONISTS | MERZ & CO GMBH & CO (DE) | 2002-09-25 | — | — | EP | claimed |
| EP-0931081-B1 | PYRIDAZINO 4,5-B]-QUINOLINE 5-OXIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS GLYCINE ANTAGONISTS | MERZ & CO GMBH & CO (DE) | 2002-09-25 | — | — | EP | disclosed |