⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL907341 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL9583153 | 0.98 | — | — | |
| Pyridine SCHEMBL28808861 | 0.84 | SLC6A2 (0.38) | — | |
| SCHEMBL12476117 | 0.82 | SLC6A2 (0.38) | — | |
| SCHEMBL250057 | 0.82 | — | — | |
| Methylene Chloride SCHEMBL28248597 | 0.80 | SLC6A2 (0.44) | — | |
| Hydrochloric Acid SCHEMBL74240 | 0.80 | SLC6A2 (0.38) | — | |
| SCHEMBL536771 | 0.80 | SLC6A2 (0.42) | — | |
| SCHEMBL1746181 | 0.80 | SLC6A2 (0.42) | — | |
| SCHEMBL3774679 | 0.79 | SLC6A2 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023036140-A1 | 3CLPRO PROTEASE INHIBITOR | 上海齐鲁制药研究中心有限公司 | 2023-03-16 | — | — | WO | disclosed |