⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9800244 | 0.83 | ALDH1A1 (0.34) | — | |
| SCHEMBL9800228 | 0.76 | ALDH1A1 (0.35) | — | |
| SCHEMBL7663878 | 0.75 | GAA (0.43) | — | |
| SCHEMBL9800254 | 0.75 | ALDH1A1 (0.34) | — | |
| SCHEMBL9800221 | 0.70 | HTR1A (0.32) | — | |
| SCHEMBL7656281 | 0.70 | SMN1; SMN2 (0.40) | — | |
| SCHEMBL11043753 | 0.68 | — | — | |
| SCHEMBL11622081 | 0.67 | BRD4 (0.46) | — | |
| SCHEMBL7653951 | 0.66 | HCRTR1 (0.44) | — | |
| SCHEMBL9800302 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6407228-B1 | MIXING ISOCYANATE WITH VINYL ETHER; CYCLIZATION | JAPAN AS REPRESENTED BY DIRECTOR GENERAL OF AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) | 2002-06-18 | — | — | US | disclosed |