⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9671711 | 0.85 | EPHX1 (0.35) | — | |
| SCHEMBL9744659 | 0.82 | — | — | |
| SCHEMBL9670950 | 0.81 | GLS2 (0.35) | — | |
| SCHEMBL7295059 | 0.81 | GLS2 (0.35) | — | |
| SCHEMBL9671037 | 0.81 | GLS2 (0.35) | — | |
| SCHEMBL9325034 | 0.81 | GLS2 (0.35) | — | |
| SCHEMBL9670938 | 0.80 | CHRNB2 (0.39) | — | |
| Benzene SCHEMBL9326381 | 0.79 | ALDH1A1 (0.36) | — | |
| SCHEMBL9325309 | 0.79 | LMNA (0.42) | — | |
| SCHEMBL9746369 | 0.78 | ALDH2 (0.33) | — |
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-5089485-A | ANTI-INFLAMMATORY FURANONES | ALLERGAN, INC. (US) | 1992-02-18 | — | — | US | disclosed |