⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27987055 | 0.81 | — | — | |
| SCHEMBL28631775 | 0.78 | SLC1A2 (0.31) | — | |
| SCHEMBL27265120 | 0.77 | MEN1 (0.34) | — | |
| SCHEMBL2905562 | 0.76 | SLC6A1 (0.33) | — | |
| SCHEMBL7587103 | 0.76 | SLC6A1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL7590833 | 0.75 | SLC6A1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL8112201 | 0.75 | SLC6A1 (0.32) | — | |
| SCHEMBL1351693 | 0.75 | CHRM2 (0.33) | — | |
| SCHEMBL8103030 | 0.75 | KDM4E (0.35) | — | |
| SCHEMBL19209920 | 0.73 | SLC6A1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102958525-B | Antiviral compounds | 普罗瑟塔抗病毒股份有限公司 | 2017-05-24 | — | — | CN | disclosed |