⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5160223 | 1.00 | — | — | |
| SCHEMBL1303243 | 0.78 | — | — | |
| SCHEMBL1302842 | 0.78 | — | — | |
| SCHEMBL4599188 | 0.77 | EPHX1 (0.30) | — | |
| SCHEMBL9393349 | 0.73 | — | — | |
| SCHEMBL7564781 | 0.71 | CHRNB2 (0.34) | — | |
| SCHEMBL7571315 | 0.71 | CHRNB2 (0.34) | — | |
| SCHEMBL7373994 | 0.71 | CHRNB2 (0.34) | — | |
| SCHEMBL3914416 | 0.71 | CHRNB2 (0.34) | — | |
| SCHEMBL8860841 | 0.67 | HPGD (0.48) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1233013-B1 | NOVEL PHENYLALANINE DERIVATIVES | AJINOMOTO KK (JP) | 2007-02-28 | — | — | EP | disclosed |