⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7303995 | 0.80 | CA2 (0.40) | — | |
| SCHEMBL9671527 | 0.80 | CA2 (0.40) | — | |
| SCHEMBL9326841 | 0.79 | SLC2A1 (0.43) | — | |
| SCHEMBL9326334 | 0.79 | — | — | |
| Cyclohexane SCHEMBL10651191 | 0.75 | CA2 (0.36) | — | |
| SCHEMBL9747045 | 0.74 | — | — | |
| SCHEMBL9670027 | 0.73 | ADRB2 (0.36) | — | |
| SCHEMBL7303252 | 0.71 | ALDH2 (0.37) | — | |
| SCHEMBL9325309 | 0.70 | LMNA (0.42) | — | |
| SCHEMBL9746369 | 0.69 | 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 2 patents. 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 |
| EP-0369811-A2 | Anti-inflammatory furanones | ALLERGAN, INC (US) | 1990-05-23 | — | — | EP | disclosed |