⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9381726 | 0.69 | MAPK1 (0.33) | — | |
| SCHEMBL1003675 | 0.69 | — | — | |
| SCHEMBL11240031 | 0.69 | — | — | |
| SCHEMBL16761830 | 0.69 | — | — | |
| SCHEMBL12777784 | 0.69 | — | — | |
| SCHEMBL2210250 | 0.69 | MAPK1 (0.32) | — | |
| SCHEMBL23933171 | 0.68 | — | — | |
| SCHEMBL19995833 | 0.68 | — | — | |
| SCHEMBL19241405 | 0.67 | MAPK1 (0.37) | — | |
| SCHEMBL20078624 | 0.67 | MAPK1 (0.37) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004016260-A1 | THERAPEUTIC USE OF FUSED BICYCLIC OR TRICYCLIC AMINO ACIDS | PFIZER LIMITED (GB) | 2004-02-26 | — | — | WO | disclosed |