⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14849924 | 0.87 | ZDHHC20 (0.34) | — | |
| SCHEMBL3255350 | 0.85 | ALDH1A1 (0.38) | — | |
| SCHEMBL21400679 | 0.84 | ALDH1A1 (0.33) | — | |
| SCHEMBL14836759 | 0.84 | ZDHHC20 (0.39) | — | |
| SCHEMBL16776767 | 0.81 | ZDHHC20 (0.42) | — | |
| SCHEMBL14341773 | 0.81 | ZDHHC20 (0.38) | — | |
| SCHEMBL16776749 | 0.79 | ZDHHC20 (0.44) | — | |
| SCHEMBL308561 | 0.79 | — | — | |
| SCHEMBL2455781 | 0.79 | ZDHHC20 (0.44) | — | |
| SCHEMBL4948962 | 0.79 | ALDH1A1 (0.33) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0602254-B1 | POLYMERIZABLE MONOMER, POLYMER THEREOF, AND PROCESS FOR PRODUCING THE SAME | OTSUKA KAGAKU KK (JP) | 1997-01-02 | — | — | EP | disclosed |
| US-5476913-A | Bactericides | OTSUKA KAGAKU KABUSHIKI KAISHA (JP) | 1995-12-19 | — | — | US | disclosed |
| EP-0602254-A1 | POLYMERIZABLE MONOMER, POLYMER THEREOF, AND PROCESS FOR PRODUCING THE SAME | OTSUKA KAGAKU KABUSHIKI KAISHA (JP) | 1994-06-22 | — | — | EP | disclosed |