⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22206279 | 0.68 | — | — | |
| Ammonia Solution, Strong SCHEMBL238233 | 0.68 | — | — | |
| SCHEMBL5838655 | 0.68 | — | — | |
| SCHEMBL390570 | 0.67 | — | — | |
| Ammonia Solution, Strong SCHEMBL6268326 | 0.66 | — | — | |
| SCHEMBL935852 | 0.64 | — | — | |
| SCHEMBL1592588 | 0.62 | — | — | |
| SCHEMBL3195434 | 0.62 | — | — | |
| SCHEMBL8743605 | 0.62 | — | — | |
| SCHEMBL445070 | 0.61 | KMT2A (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4016159-A | BACTERICIDES | HOECHST AKTIENGESELLSCHAFT (DT) | 1977-04-05 | — | — | US | claimed |
| US-7053056-B2 | C-terminal modified oxamyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases | IDUN PHARMACEUTICALS, INC. (US) | 2006-05-30 | — | — | US | disclosed |