⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL331117 | 1.00 | — | — | |
| SCHEMBL13944398 | 0.89 | — | — | |
| SCHEMBL16604659 | 0.89 | — | — | |
| SCHEMBL23713351 | 0.87 | ANPEP (0.33) | — | |
| SCHEMBL16353913 | 0.87 | — | — | |
| SCHEMBL28987910 | 0.85 | — | — | |
| SCHEMBL30668379 | 0.84 | — | — | |
| SCHEMBL21670102 | 0.84 | — | — | |
| SCHEMBL6633480 | 0.84 | — | — | |
| SCHEMBL29014055 | 0.84 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3604279-B1 | METHOD FOR PRODUCING POLYTHIOL COMPOUND, POLYMERIZABLE COMPOSITION AND USE THEREOF | MITSUI CHEMICALS INC (JP) | 2023-08-16 | — | — | EP | disclosed |