⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4936535 | 1.00 | — | — | |
| SCHEMBL4933520 | 1.00 | — | — | |
| SCHEMBL4935783 | 1.00 | — | — | |
| SCHEMBL5287602 | 1.00 | — | — | |
| SCHEMBL4933511 | 1.00 | — | — | |
| SCHEMBL7707467 | 0.97 | FDPS (0.30) | — | |
| SCHEMBL7707465 | 0.97 | FDPS (0.30) | — | |
| SCHEMBL7710741 | 0.97 | FDPS (0.30) | — | |
| SCHEMBL7708125 | 0.78 | CHRM5 (0.32) | — | |
| SCHEMBL7710676 | 0.78 | KCNA5 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20080194841-A1 | Preparation of Optically Pure Beta-Amino Acids Having Affinity for the Alpha-Delta Protein | PFIZER INC. | 2008-08-14 | — | — | US | disclosed |