⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2552749 | 1.00 | — | — | |
| SCHEMBL19165680 | 0.78 | — | — | |
| SCHEMBL11514921 | 0.78 | — | — | |
| SCHEMBL11195958 | 0.78 | — | — | |
| SCHEMBL10167937 | 0.76 | — | — | |
| SCHEMBL29493444 | 0.75 | — | — | |
| SCHEMBL2553018 | 0.75 | — | — | |
| SCHEMBL2555319 | 0.75 | — | — | |
| SCHEMBL4214503 | 0.75 | — | — | |
| SCHEMBL6545536 | 0.74 | — | — |
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-0520336-A2 | Aldehyde derivatives and their use as calpain inhibitors | FUJIREBIO Inc. (JP) | 1992-12-30 | — | — | EP | disclosed |