⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27795271 | 0.85 | — | — | |
| SCHEMBL28057408 | 0.83 | LOXL2 (0.35) | — | |
| SCHEMBL27671210 | 0.76 | ENPP2 (0.30) | — | |
| SCHEMBL27651119 | 0.71 | — | — | |
| SCHEMBL15063544 | 0.68 | PTGS2 (0.31) | — | |
| SCHEMBL27382724 | 0.67 | LOXL2 (0.32) | — | |
| SCHEMBL1765119 | 0.66 | IDO1 (0.52) | — | |
| SCHEMBL27324902 | 0.65 | — | — | |
| SCHEMBL63392 | 0.64 | LOXL2 (0.47) | — | |
| SCHEMBL1872002 | 0.64 | IDO1 (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104277004-B | Prepare method and its intermediate of pyridazinone compound | 住友化学株式会社 | 2016-08-24 | — | — | CN | disclosed |