⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL236173 | 0.75 | — | — | |
| SCHEMBL9058598 | 0.73 | — | — | |
| SCHEMBL101280 | 0.73 | — | — | |
| Phosphine SCHEMBL28626874 | 0.70 | — | — | |
| SCHEMBL28491261 | 0.70 | — | — | |
| Charcoal, Activated SCHEMBL7916448 | 0.70 | — | — | |
| SCHEMBL3055639 | 0.69 | — | — | |
| SCHEMBL5412042 | 0.69 | — | — | |
| SCHEMBL3627376 | 0.68 | ALDH1A1 (0.35) | — | |
| Ethyne SCHEMBL7258726 | 0.68 | TSHR (0.33) | — |
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-1294405-A2 | PRODRUG COMPOUNDS CLEAVABLE BY THIMET OLIGOPEPTIDASE | CORIXA CORPORATION (US) | 2003-03-26 | — | — | EP | disclosed |
| WO-2001095945-A2 | PRODRUG COMPOUNDS CLEAVABLE BY THIMET OLIGOPEPTIDASE | MEDAREX, INC. (US) | 2001-12-20 | — | — | WO | disclosed |