⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11227931 | 0.93 | ALDH1A1 (0.32) | — | |
| SCHEMBL10986824 | 0.90 | SMN1; SMN2 (0.37) | — | |
| SCHEMBL11158801 | 0.87 | TSHR (0.41) | — | |
| SCHEMBL11156199 | 0.86 | HTR1A (0.37) | — | |
| SCHEMBL11160396 | 0.84 | MEN1 (0.37) | — | |
| SCHEMBL8979442 | 0.83 | LTA4H (0.40) | — | |
| SCHEMBL11154552 | 0.82 | ICMT (0.39) | — | |
| SCHEMBL11155416 | 0.82 | ICMT (0.39) | — | |
| SCHEMBL11147722 | 0.82 | ICMT (0.39) | — | |
| SCHEMBL10983456 | 0.80 | BCHE (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4543216-A | REACTING A VINYL BENZYL HALIDE WITH AN AMINO ACID OR AMINO SULFONIC ACID | NIPPON PAINT CO., LTD. (JP) | 1985-09-24 | — | — | US | disclosed |
| US-4452746-A | TO MODIFY PROPERTIES OF HIGH MOLECULAR WEIGHT COMPOUNDS | NIPPON PAINT CO., LTD. (JP) | 1984-06-05 | — | — | US | disclosed |