⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL420702 | 0.77 | ALDH1A1 (0.37) | — | |
| SCHEMBL3295003 | 0.71 | ALDH1A1 (0.41) | — | |
| SCHEMBL5711152 | 0.71 | ALDH1A1 (0.41) | — | |
| SCHEMBL4422900 | 0.71 | ALDH1A1 (0.41) | — | |
| SCHEMBL3297294 | 0.71 | ALDH1A1 (0.41) | — | |
| SCHEMBL11109732 | 0.70 | ALDH1A1 (0.31) | — | |
| SCHEMBL2407879 | 0.67 | ALDH1A1 (0.44) | — | |
| SCHEMBL4972445 | 0.67 | TSHR (0.33) | — | |
| SCHEMBL25140038 | 0.66 | ALDH1A1 (0.42) | — | |
| SCHEMBL17589284 | 0.65 | ALDH1A1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0108886-A2 | Silicone-containing hard contact lens materials having increased oxygen permeability | CIBA-GEIGY AG (CH) | 1984-05-23 | — | — | EP | claimed |
| EP-0108886-A2 | Silicone-containing hard contact lens materials having increased oxygen permeability | CIBA-GEIGY AG (CH) | 1984-05-23 | — | — | EP | disclosed |