⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24404207 | 0.94 | KMT2A (0.33) | — | |
| SCHEMBL20717666 | 0.88 | CTSL (0.34) | — | |
| SCHEMBL19157990 | 0.88 | CTSL (0.34) | — | |
| SCHEMBL20717853 | 0.88 | CTSL (0.34) | — | |
| SCHEMBL23571205 | 0.82 | PARG (0.32) | — | |
| SCHEMBL25059864 | 0.81 | KMT2A (0.34) | — | |
| SCHEMBL24197645 | 0.80 | JAK2 (0.33) | — | |
| SCHEMBL13907209 | 0.80 | JAK2 (0.33) | — | |
| SCHEMBL2162286 | 0.80 | JAK2 (0.33) | — | |
| SCHEMBL365047 | 0.80 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3689931-A1 | CATALYST FOR DISSOCIATION OF BLOCKING AGENT FOR BLOCKED ISOCYANATES, AND THERMOSETTING COMPOSITION CONTAINING SAID CATALYST FOR DISSOCIATION OF BLOCKING AGENT | Koei Chemical Company, Limited (JP) | 2020-08-05 | — | — | EP | disclosed |
| EP-2710994-B1 | DENTAL MATERIAL, DENTAL MATERIAL COMPOSITION, DENTAL REPAIR MATERIAL, AND CURED PRODUCT | MITSUI CHEMICALS INC (JP) | 2018-08-01 | — | — | EP | disclosed |