⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27495036 | 0.65 | — | — | |
| SCHEMBL2843243 | 0.65 | — | — | |
| SCHEMBL16423308 | 0.64 | ALDH1A1 (0.36) | — | |
| SCHEMBL12810075 | 0.61 | — | — | |
| SCHEMBL2506587 | 0.61 | — | — | |
| SCHEMBL2497308 | 0.60 | — | — | |
| SCHEMBL13781975 | 0.57 | — | — | |
| SCHEMBL815142 | 0.56 | — | — | |
| SCHEMBL816417 | 0.56 | ALDH1A1 (0.31) | — | |
| SCHEMBL817441 | 0.56 | ALDH1A1 (0.31) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2001056974-A2 | INHA INHIBITORS AND THEIR USE AS ANTIBACTERIALS | GENZYME CORPORATION (US) | 2001-08-09 | — | — | WO | claimed |
| US-6372752-B1 | ENZYME INHIBITORS, RESPIRATORY SYSTEM DISORDERS, TUBERCULOSIS AND MYCOBACTERIUM BACTERICIDES | GENZYME CORPORATION | 2002-04-16 | — | — | US | disclosed |
| WO-2001056974-A2 | INHA INHIBITORS AND THEIR USE AS ANTIBACTERIALS | GENZYME CORPORATION (US) | 2001-08-09 | — | — | WO | disclosed |