⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10033452 | 1.00 | — | — | |
| SCHEMBL14311002 | 1.00 | — | — | |
| SCHEMBL1630764 | 0.78 | CHRNB2 (0.44) | — | |
| SCHEMBL1630761 | 0.78 | CHRNB2 (0.44) | — | |
| SCHEMBL2486077 | 0.78 | CHRNB2 (0.44) | — | |
| SCHEMBL13191392 | 0.76 | — | — | |
| SCHEMBL12281861 | 0.76 | — | — | |
| SCHEMBL10054192 | 0.76 | — | — | |
| SCHEMBL22881957 | 0.76 | — | — | |
| SCHEMBL3261026 | 0.76 | TSHR (0.40) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0783489-A1 | ALDEHYDE DERIVATIVES AS UPSTEINE PROTEASE INHIBITORS | Takeda Chemical Industries, Ltd. (JP) | 1997-07-16 | — | — | EP | disclosed |
| WO-1996010014-A1 | ALDEHYDE DERIVATIVES AS UPSTEINE PROTEASE INHIBITORS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-04-04 | — | — | WO | disclosed |