⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13983171 | 0.86 | — | — | |
| SCHEMBL16542291 | 0.79 | — | — | |
| SCHEMBL8196595 | 0.76 | — | — | |
| SCHEMBL14865021 | 0.76 | — | — | |
| SCHEMBL15177736 | 0.76 | — | — | |
| SCHEMBL12902022 | 0.76 | — | — | |
| SCHEMBL12160508 | 0.72 | KMO (0.34) | — | |
| SCHEMBL8312772 | 0.72 | — | — | |
| SCHEMBL17326841 | 0.71 | — | — | |
| SCHEMBL17928465 | 0.71 | — | — |
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-1082308-B1 | HETEROCYCLICALLY SUBSTITUTED AMIDES USED AS CALPAIN INHIBITORS | ABBOTT GMBH & CO KG (DE) | 2009-04-01 | — | — | EP | disclosed |