⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11330752 | 0.78 | — | — | |
| SCHEMBL252209 | 0.77 | — | — | |
| SCHEMBL11406930 | 0.77 | TSHR (0.46) | — | |
| SCHEMBL13585188 | 0.76 | TSHR (0.41) | — | |
| SCHEMBL14947426 | 0.75 | — | — | |
| SCHEMBL1291112 | 0.75 | ALDH1A1 (0.52) | — | |
| SCHEMBL27885155 | 0.73 | TSHR (0.43) | — | |
| SCHEMBL11325681 | 0.73 | TSHR (0.55) | — | |
| SCHEMBL28423063 | 0.73 | MEN1 (0.46) | — | |
| SCHEMBL28416144 | 0.73 | MEN1 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-112279959-A | Ophthalmic polymer material, method for the production and use thereof | 康小林 | 2021-01-29 | — | — | CN | claimed |
| CN-112279959-B | Ophthalmic polymer material, method for the production and use thereof | 康小林 | 2022-05-03 | — | — | CN | disclosed |
| CN-112279959-A | Ophthalmic polymer material, method for the production and use thereof | 康小林 | 2021-01-29 | — | — | CN | disclosed |