⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5534851 | 0.77 | — | — | |
| SCHEMBL16636516 | 0.72 | — | — | |
| SCHEMBL14803850 | 0.67 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL4589608 | 0.67 | ALDH1A1 (0.37) | — | |
| SCHEMBL19426063 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL11017206 | 0.66 | MYC (0.33) | — | |
| SCHEMBL5154436 | 0.65 | — | — | |
| SCHEMBL8627226 | 0.65 | — | — | |
| SCHEMBL18123078 | 0.61 | — | — | |
| SCHEMBL11663165 | 0.61 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1059293-A1 | Novel amino chlorothiazole compounds | Microcide Pharmaceuticals, Inc. (US) | 2000-12-13 | — | — | EP | disclosed |