⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9715488 | 0.84 | CA1 (0.44) | — | |
| SCHEMBL28047609 | 0.73 | SLC22A6 (0.30) | — | |
| SCHEMBL31345220 | 0.72 | — | — | |
| SCHEMBL27845994 | 0.70 | — | — | |
| SCHEMBL28046726 | 0.69 | — | — | |
| SCHEMBL9715501 | 0.67 | CA1 (0.47) | — | |
| SCHEMBL27999127 | 0.67 | — | — | |
| SCHEMBL27917930 | 0.67 | — | — | |
| SCHEMBL4615228 | 0.66 | — | — | |
| SCHEMBL9715523 | 0.65 | CA1 (0.48) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105189592-A | Composition for optical material and optical material obtained therefrom | MITSUBISHI GAS CHEMICAL CO | 2015-12-23 | — | — | CN | disclosed |
| CN-103649821-B | Plastic lens | HOYA CORP | 2015-04-01 | — | — | CN | disclosed |
| CN-104364285-A | Polyrethane-based optical member and method for producing same | HOYA CORP | 2015-02-18 | — | — | CN | disclosed |
| CN-1082968-C | Sulfur-containing urethane-based resin composition, its resin, and optical element and lens comprising resin thereof | MITSUI CHEMICALS INC (JP) | 2002-04-17 | — | — | CN | disclosed |
| CN-1148055-A | Sulfur-containing urethane-based resin composition, its resin, and optical element and lens comprising resin thereof | MITSUI TOATSU CHEMICALS (JP) | 1997-04-23 | — | — | CN | disclosed |