⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30876312 | 0.76 | — | — | |
| SCHEMBL21616444 | 0.74 | ALDH1A1 (0.33) | — | |
| SCHEMBL28917616 | 0.74 | CASP1 (0.33) | — | |
| SCHEMBL18855852 | 0.71 | — | — | |
| SCHEMBL10385805 | 0.70 | — | — | |
| SCHEMBL14274928 | 0.70 | — | — | |
| SCHEMBL11058698 | 0.69 | ALDH1A1 (0.32) | — | |
| SCHEMBL1536082 | 0.69 | ALDH1A1 (0.50) | — | |
| SCHEMBL10723088 | 0.65 | — | — | |
| SCHEMBL11494595 | 0.65 | — | — |
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-57136543-A | — | — | None | — | — | JP | disclosed |
| JP-S57136543-A | 3-SUBSTITUTED HYDROXYCYCLOPENTENONE | SUMITOMO CHEM CO LTD | 1982-08-23 | — | — | JP | disclosed |