⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7135276 | 0.85 | — | — | |
| SCHEMBL7135271 | 0.85 | — | — | |
| SCHEMBL7135268 | 0.85 | — | — | |
| SCHEMBL1054460 | 0.76 | — | — | |
| SCHEMBL10675862 | 0.73 | — | — | |
| SCHEMBL13672987 | 0.72 | — | — | |
| SCHEMBL7902081 | 0.72 | — | — | |
| SCHEMBL16067258 | 0.72 | — | — | |
| SCHEMBL13569736 | 0.72 | — | — | |
| SCHEMBL12696634 | 0.72 | — | — |
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-2009133831-A1 | PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF | 旭化成ファーマ株式会社 (JP) | 2009-11-05 | — | — | WO | disclosed |