⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5007894 | 0.73 | — | — | |
| SCHEMBL861017 | 0.73 | — | — | |
| SCHEMBL23411748 | 0.73 | — | — | |
| SCHEMBL18628719 | 0.72 | — | — | |
| SCHEMBL1943420 | 0.71 | — | — | |
| SCHEMBL2106110 | 0.70 | ALDH1A1 (0.36) | — | |
| SCHEMBL3691355 | 0.70 | — | — | |
| SCHEMBL1374970 | 0.69 | — | — | |
| SCHEMBL1478785 | 0.69 | — | — | |
| SCHEMBL14053079 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2043699-B1 | LOW-TACK OPHTHALMIC AND OTORHINOLARYNGOLOGICAL DEVICE MATERIALS | NOVARTIS AG (CH) | 2011-09-28 | — | — | EP | claimed |