⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8773280 | 0.74 | — | — | |
| SCHEMBL8773283 | 0.74 | — | — | |
| SCHEMBL5616647 | 0.74 | — | — | |
| SCHEMBL29154556 | 0.72 | — | — | |
| SCHEMBL3293728 | 0.69 | ALDH1A1 (0.35) | — | |
| SCHEMBL7700091 | 0.69 | ALDH1A1 (0.35) | — | |
| SCHEMBL28081641 | 0.69 | — | — | |
| SCHEMBL319895 | 0.67 | — | — | |
| SCHEMBL319894 | 0.67 | — | — | |
| SCHEMBL28117009 | 0.67 | — | — |
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-0185007-B1 | MIXTURE FOR TREATING AND CLEANING CONTACT LENSES | Koller, Anton (AT) | 1989-01-18 | — | — | EP | disclosed |
| EP-0185007-A2 | Mixture for treating and cleaning contact lenses | Koller, Anton (AT) | 1986-06-18 | — | — | EP | disclosed |