⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8013606 | 0.71 | MAPK1 (0.31) | — | |
| SCHEMBL10387378 | 0.70 | — | — | |
| SCHEMBL5712747 | 0.70 | MPO (0.34) | — | |
| SCHEMBL10387377 | 0.70 | — | — | |
| SCHEMBL21570634 | 0.67 | — | — | |
| SCHEMBL7861857 | 0.67 | — | — | |
| SCHEMBL1565415 | 0.65 | — | — | |
| SCHEMBL2074977 | 0.65 | MAPK1 (0.35) | — | |
| SCHEMBL2074979 | 0.65 | MAPK1 (0.35) | — | |
| SCHEMBL3174682 | 0.64 | — | — |
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-1379494-B1 | FUSED BICYCLIC OR TRICYCLIC AMINO ACIDS | WARNER LAMBERT CO (US) | 2010-03-10 | — | — | EP | disclosed |
| WO-2004016260-A1 | THERAPEUTIC USE OF FUSED BICYCLIC OR TRICYCLIC AMINO ACIDS | PFIZER LIMITED (GB) | 2004-02-26 | — | — | WO | disclosed |