⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL308679 | 0.82 | TGFBR1 (0.39) | — | |
| SCHEMBL514780 | 0.81 | TGFBR1 (0.38) | — | |
| SCHEMBL19945957 | 0.78 | — | — | |
| Acrylamide SCHEMBL2476539 | 0.77 | TGFBR1 (0.33) | — | |
| SCHEMBL307976 | 0.75 | TSHR (0.41) | — | |
| SCHEMBL515064 | 0.74 | TSHR (0.40) | — | |
| SCHEMBL10748960 | 0.74 | TGFBR1 (0.33) | — | |
| SCHEMBL10751312 | 0.74 | TGFBR1 (0.33) | — | |
| SCHEMBL1273819 | 0.73 | — | — | |
| SCHEMBL15309161 | 0.71 | TGFBR1 (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-5162391-A | Copolymer of Siloxanyalkylacrylamide of a Fluoro Monomer | KURARAY CO., LTD. (JP) | 1992-11-10 | — | — | US | disclosed |
| EP-0387706-A2 | Oxygen permeable hard contact lens | KURARAY CO., LTD. (JP) | 1990-09-19 | — | — | EP | disclosed |