⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28703067 | 0.70 | TSHR (0.35) | — | |
| SCHEMBL1532288 | 0.68 | SLC22A2 (0.31) | — | |
| SCHEMBL29056348 | 0.67 | SLC22A2 (0.30) | — | |
| SCHEMBL29128753 | 0.67 | SLC22A2 (0.30) | — | |
| Hydrochloric Acid SCHEMBL29004524 | 0.67 | CA12 (0.30) | — | |
| Hydrochloric Acid SCHEMBL29004526 | 0.65 | — | — | |
| Iodide SCHEMBL8962417 | 0.64 | TP53 (0.41) | — | |
| SCHEMBL8137353 | 0.63 | — | — | |
| SCHEMBL31547630 | 0.63 | — | — | |
| SCHEMBL30940369 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-112638893-B | Substituted thiophenecarboxamides and analogues as antibacterial agents | 拜耳公司 | 2024-03-29 | — | — | CN | disclosed |