⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL238837 | 0.88 | MAOA (0.32) | — | |
| SCHEMBL239087 | 0.88 | MAOA (0.32) | — | |
| SCHEMBL241891 | 0.84 | ALDH1A1 (0.32) | — | |
| SCHEMBL241355 | 0.84 | ALDH1A1 (0.32) | — | |
| SCHEMBL22689408 | 0.78 | SLC6A9 (0.32) | — | |
| SCHEMBL22698727 | 0.78 | — | — | |
| SCHEMBL22698342 | 0.77 | ALDH1A1 (0.38) | — | |
| SCHEMBL3045642 | 0.77 | GAA (0.44) | — | |
| SCHEMBL23833818 | 0.75 | GAA (0.43) | — | |
| SCHEMBL4706606 | 0.74 | MAOA (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 |
|---|---|---|---|---|---|---|---|
| WO-2020234636-A1 | NOVEL COMPOUNDS FOR THE TREATMENT OF MAMMALIAN INFECTIONS | CADILA HEALTHCARE LIMITED (IN) | 2020-11-26 | — | — | WO | disclosed |
| WO-2020234636-A1 | NOVEL COMPOUNDS FOR THE TREATMENT OF MAMMALIAN INFECTIONS | CADILA HEALTHCARE LIMITED (IN) | 2020-11-26 | — | — | WO | disclosed |