⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16908673 | 0.82 | TSHR (0.37) | — | |
| SCHEMBL528085 | 0.80 | TSHR (0.42) | — | |
| SCHEMBL16908674 | 0.77 | TSHR (0.37) | — | |
| SCHEMBL11812638 | 0.75 | TSHR (0.46) | — | |
| SCHEMBL293485 | 0.75 | — | — | |
| SCHEMBL29220308 | 0.75 | ALDH1A1 (0.42) | — | |
| SCHEMBL3256852 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL8882940 | 0.73 | TSHR (0.41) | — | |
| SCHEMBL30513348 | 0.73 | — | — | |
| SCHEMBL7601884 | 0.71 | — | — |
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-0276957-B1 | VINYLIDENE FLUORIDE-ACRYLIC ACID ESTER COPOLYMER, PROCESS FOR PRODUCING THE SAME AND COMPOSITION CONTAINING THE SAME | JAPAN SYNTHETIC RUBBER CO., LTD. (JP) | 1992-03-18 | — | — | EP | claimed |