⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8745455 | 1.00 | — | — | |
| SCHEMBL6250028 | 0.74 | — | — | |
| SCHEMBL27994701 | 0.74 | THRB (0.31) | — | |
| SCHEMBL4951853 | 0.74 | THRB (0.31) | — | |
| SCHEMBL27994805 | 0.72 | THRB (0.40) | — | |
| SCHEMBL92115 | 0.72 | — | — | |
| SCHEMBL1491986 | 0.72 | THRB (0.40) | — | |
| SCHEMBL15351072 | 0.70 | THRB (0.44) | — | |
| SCHEMBL18862845 | 0.70 | THRB (0.44) | — | |
| SCHEMBL18862850 | 0.70 | THRB (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0586332-B1 | Contact lenses made from lipophilic cyclodextrines | CIBA GEIGY AG (CH) | 1997-02-05 | — | — | EP | disclosed |
| US-5391592-A | Crosslinked with hydrosilylizable compound or polymer of silicon; polysaccharides | CIBA-GEIGY CORPORATION (US) | 1995-02-21 | — | — | US | disclosed |
| EP-0586332-A1 | Contact lenses made from lipophilic cyclodextrines | CIBA-GEIGY AG (CH) | 1994-03-09 | — | — | EP | disclosed |