⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL939950 | 0.79 | TDP1 (0.37) | — | |
| Trifluoroacetic Acid SCHEMBL1127872 | 0.74 | PLG (0.42) | — | |
| SCHEMBL1419796 | 0.69 | EPHX1 (0.40) | — | |
| SCHEMBL26626499 | 0.65 | PLG (0.42) | — | |
| SCHEMBL20240947 | 0.65 | PLG (0.42) | — | |
| SCHEMBL1958023 | 0.64 | NAAA (0.31) | — | |
| Hydrazine SCHEMBL22505628 | 0.63 | GPR35 (0.33) | — | |
| SCHEMBL398217 | 0.62 | GPR35 (0.34) | — | |
| SCHEMBL6294396 | 0.62 | TDP1 (0.39) | — | |
| SCHEMBL19924308 | 0.61 | PLG (0.50) | — |
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-2283022-A1 | FURO Ý3, 2-B¨PYRR0L-3-0NES AS CATHEPSIN S INHIBITORS | Amura Therapeutics Limited (GB) | 2011-02-16 | — | — | EP | disclosed |
| WO-2009112826-A1 | FURO [3, 2-B] PYRR0L-3-0NES AS CATHEPSIN S INHIBITORS | AMURA THERAPEUTICS LIMITED (GB) | 2009-09-17 | — | — | WO | disclosed |