⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2553768 | 1.00 | — | — | |
| SCHEMBL11247458 | 0.93 | ANPEP (0.41) | — | |
| SCHEMBL1457061 | 0.85 | — | — | |
| SCHEMBL41467 | 0.85 | — | — | |
| SCHEMBL41466 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL11102404 | 0.83 | — | — | |
| SCHEMBL9160499 | 0.78 | — | — | |
| SCHEMBL2549518 | 0.77 | TSHR (0.39) | — | |
| SCHEMBL6545726 | 0.76 | — | — | |
| SCHEMBL25686241 | 0.76 | ALDH1A1 (0.44) | — |
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-0520336-A2 | Aldehyde derivatives and their use as calpain inhibitors | FUJIREBIO Inc. (JP) | 1992-12-30 | — | — | EP | disclosed |
| US-4329495-A | USEFUL AS ANALGESICS OR ANTICONVULSANTS, CHIRAL 2-(2-BENZYL-3-MERCAPTOPROPIONYLAMINO)-THIOBUTYRIC ACIDS, OR ALKANOL DERIVATIVES | PFIZER INC. (US) | 1982-05-11 | — | — | US | disclosed |