⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5946162 | 0.96 | — | — | |
| SCHEMBL341359 | 0.96 | — | — | |
| SCHEMBL27813803 | 0.96 | DPP4 (0.38) | — | |
| Hydrochloric Acid SCHEMBL27519491 | 0.92 | — | — | |
| SCHEMBL28009276 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL11571407 | 0.92 | — | — | |
| SCHEMBL27592362 | 0.92 | — | — | |
| Ethylene SCHEMBL27627224 | 0.89 | — | — | |
| Oxalic Acid SCHEMBL19617573 | 0.83 | SLC7A5 (0.41) | — | |
| Alanine SCHEMBL27304595 | 0.83 | SLC7A5 (0.48) | — |
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-105713084-A | Method for producing low-metallized metallothionein having redox activity and pharmaceutical composition containing the same | 司马承帝 | 2016-06-29 | — | — | CN | disclosed |