⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29791068 | 0.97 | — | — | |
| SCHEMBL1303795 | 0.97 | — | — | |
| SCHEMBL135301 | 0.97 | — | — | |
| SCHEMBL17240310 | 0.93 | — | — | |
| SCHEMBL5670370 | 0.93 | — | — | |
| SCHEMBL29465837 | 0.93 | — | — | |
| Benzene SCHEMBL8037845 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL8961347 | 0.90 | — | — | |
| SCHEMBL4864395 | 0.90 | — | — | |
| SCHEMBL7236907 | 0.90 | — | — |
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-116359302-A | Nickel-based 5-HT electrochemical sensors of dithiolene-transition metal MOFs/MWCNTs/GCE | 西北师范大学 | 2023-06-30 | — | — | CN | disclosed |