⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL35464 | 0.78 | — | — | |
| SCHEMBL4895740 | 0.77 | TSHR (0.42) | — | |
| SCHEMBL3627739 | 0.73 | — | — | |
| SCHEMBL16553158 | 0.73 | KDM4E (0.35) | — | |
| SCHEMBL9301458 | 0.73 | — | — | |
| SCHEMBL201963 | 0.71 | KDM4E (0.34) | — | |
| SCHEMBL2189977 | 0.70 | — | — | |
| SCHEMBL347663 | 0.69 | KDM4E (0.38) | — | |
| SCHEMBL7514496 | 0.69 | — | — | |
| SCHEMBL12094886 | 0.69 | — | — |
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-20080015282-A1 | BIOMEDICAL DEVICES CONTAINING INTERNAL WETTING AGENTS | JOHNSON & JOHNSON VISION CARE, INC. | 2008-01-17 | — | — | US | claimed |