⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2561206 | 0.71 | — | — | |
| SCHEMBL1717722 | 0.63 | DNM1 (0.38) | — | |
| SCHEMBL1718713 | 0.63 | — | — | |
| SCHEMBL17746589 | 0.63 | TSHR (0.33) | — | |
| SCHEMBL10753226 | 0.63 | — | — | |
| Butane SCHEMBL28456059 | 0.63 | — | — | |
| Butane SCHEMBL31240952 | 0.63 | TSHR (0.33) | — | |
| Butane SCHEMBL3151333 | 0.63 | TSHR (0.33) | — | |
| Octane SCHEMBL27624 | 0.61 | TSHR (0.67) | — | |
| SCHEMBL10665033 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1670763-A1 | CYCLOPENTENE COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2006-06-21 | — | — | EP | disclosed |
| WO-2005037793-A1 | CYCLOPENTENE COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2005-04-28 | — | — | WO | disclosed |