⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL550563 | 0.78 | — | — | |
| SCHEMBL10012988 | 0.76 | TSHR (0.48) | — | |
| SCHEMBL2572442 | 0.76 | — | — | |
| SCHEMBL7760006 | 0.75 | TSHR (0.34) | — | |
| SCHEMBL10012772 | 0.73 | TDP1 (0.31) | — | |
| SCHEMBL7759649 | 0.72 | DGKA (0.38) | — | |
| SCHEMBL10012033 | 0.72 | GAA (0.52) | — | |
| SCHEMBL5431872 | 0.71 | TDP1 (0.32) | — | |
| SCHEMBL7758118 | 0.70 | — | — | |
| SCHEMBL10010525 | 0.70 | MEN1 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4314068-A | Oxygen-permeable contact lens compositions, methods, and articles of manufacture | Tsuetaki, George F. (US) | 1982-02-02 | — | — | US | disclosed |