⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21669705 | 0.86 | — | — | |
| SCHEMBL331047 | 0.85 | — | — | |
| SCHEMBL22269694 | 0.85 | — | — | |
| SCHEMBL20609094 | 0.83 | — | — | |
| SCHEMBL25453842 | 0.82 | — | — | |
| SCHEMBL13041600 | 0.82 | — | — | |
| SCHEMBL17103791 | 0.81 | — | — | |
| SCHEMBL19616458 | 0.81 | — | — | |
| SCHEMBL28525501 | 0.81 | — | — | |
| SCHEMBL127070 | 0.81 | — | — |
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-A1 | METHOD FOR PRODUCING POLYTHIOL COMPOUND, POLYMERIZABLE COMPOSITION AND USE THEREOF | Mitsui Chemicals, Inc. (JP) | 2020-02-05 | — | — | EP | disclosed |