⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9101136 | 0.84 | SLC7A5 (0.32) | — | |
| SCHEMBL9102067 | 0.83 | DPP8 (0.31) | — | |
| SCHEMBL3312301 | 0.81 | GABRP (0.45) | — | |
| SCHEMBL21724193 | 0.81 | GABRP (0.45) | — | |
| SCHEMBL10217574 | 0.74 | HCAR2 (0.48) | — | |
| SCHEMBL25689289 | 0.74 | HCAR2 (0.48) | — | |
| Trifluoroacetic Acid SCHEMBL9105443 | 0.74 | GABRP (0.45) | — | |
| Trifluoroacetic Acid SCHEMBL9943571 | 0.74 | GABRP (0.45) | — | |
| Trifluoroacetic Acid SCHEMBL9105431 | 0.74 | GABRP (0.45) | — | |
| SCHEMBL3171987 | 0.73 | KEAP1 (0.35) | — |
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-2464368-A1 | CATHEPSIN C INHIBITORS | Glaxo Group Limited (GB) | 2012-06-20 | — | — | EP | disclosed |
| US-20120142668-A1 | CATHEPSIN C INHIBITORS | GLAXO GROUP LIMITED (GB) | 2012-06-07 | — | — | US | disclosed |