⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24316374 | 0.67 | — | — | |
| SCHEMBL31376083 | 0.58 | — | — | |
| SCHEMBL24243502 | 0.57 | — | — | |
| SCHEMBL11676565 | 0.56 | — | — | |
| SCHEMBL24684676 | 0.55 | TSHR (0.39) | — | |
| SCHEMBL1245323 | 0.52 | — | — | |
| SCHEMBL20055725 | 0.52 | — | — | |
| SCHEMBL6666128 | 0.52 | — | — | |
| SCHEMBL2357367 | 0.52 | — | — | |
| SCHEMBL16160994 | 0.52 | — | — |
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-3901131-A1 | METHOD FOR PRODUCING AMINE THROUGH REDUCTION OF AMIDE | Takasago International Corporation (JP) | 2021-10-27 | — | — | EP | disclosed |