⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7271862 | 0.83 | — | — | |
| SCHEMBL11586193 | 0.79 | — | — | |
| SCHEMBL180137 | 0.77 | — | — | |
| SCHEMBL19284195 | 0.77 | — | — | |
| SCHEMBL2268705 | 0.77 | — | — | |
| SCHEMBL16111864 | 0.77 | ALDH1A1 (0.55) | — | |
| SCHEMBL28857864 | 0.75 | ALDH1A1 (0.42) | — | |
| SCHEMBL7139174 | 0.74 | ALDH1A1 (0.52) | — | |
| SCHEMBL9855052 | 0.72 | — | — | |
| SCHEMBL28756488 | 0.72 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021141041-A1 | THERAPEUTIC AGENT FOR TAUOPATHIES | 大日本住友製薬株式会社 | 2021-07-15 | — | — | WO | disclosed |
| WO-2021039961-A1 | RING-FUSED PYRAZOLE DERIVATIVE | 大日本住友製薬株式会社 | 2021-03-04 | — | — | WO | disclosed |
| CN-1167444-A | Application of metal complex as hepatobiliary radiation contrast agent in CT scanning | SCHERING AG (DE) | 1997-12-10 | — | — | CN | disclosed |
| CN-1136805-A | Haloaryl-substituted metal complexes, pharmaceutical preparations containing these complexes, their use in diagnostics and processes for preparing the complexes and preparations | SCHERING CORP (DE) | 1996-11-27 | — | — | CN | disclosed |