⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7202819 | 0.74 | HTR1A (0.31) | — | |
| SCHEMBL19154705 | 0.67 | L3MBTL1 (0.34) | — | |
| SCHEMBL754914 | 0.65 | — | — | |
| SCHEMBL13741527 | 0.65 | — | — | |
| SCHEMBL18661686 | 0.65 | — | — | |
| SCHEMBL1397057 | 0.63 | ALDH1A1 (0.39) | — | |
| SCHEMBL10958985 | 0.61 | HSP90AB1 (0.36) | — | |
| SCHEMBL31265007 | 0.61 | — | — | |
| SCHEMBL2047727 | 0.61 | — | — | |
| SCHEMBL25301859 | 0.59 | ALDH1A1 (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 |
|---|---|---|---|---|---|---|---|
| JP-5140118-A | — | — | None | — | — | JP | disclosed |
| JP-H05140118-A | PYRIDAZINE DERIVATIVE, ITS PRODUCTION AND ACARICIDAL AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT | SUMITOMO CHEM CO LTD | 1993-06-08 | — | — | JP | disclosed |