⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3398343 | 0.71 | — | — | |
| SCHEMBL9070693 | 0.67 | — | — | |
| SCHEMBL11932134 | 0.67 | — | — | |
| SCHEMBL11927758 | 0.67 | — | — | |
| SCHEMBL18159449 | 0.66 | — | — | |
| SCHEMBL14993142 | 0.66 | BRS3 (0.31) | — | |
| SCHEMBL30523394 | 0.64 | — | — | |
| SCHEMBL24690676 | 0.63 | — | — | |
| SCHEMBL18870788 | 0.62 | — | — | |
| SCHEMBL31686419 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1996000248-A1 | WATER MISCIBLE NON-HYDROLYZABLE CROSS-LINKERS AND HIGH REFRACTIVE INDEX HYDROGELS PREPARED THEREWITH | KABI PHARMACIA OPHTHALMICS, INC. (US) | 1996-01-04 | — | — | WO | disclosed |