⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL332196 | 0.93 | — | — | |
| SCHEMBL331929 | 0.89 | — | — | |
| SCHEMBL30668373 | 0.87 | — | — | |
| SCHEMBL31009713 | 0.87 | — | — | |
| SCHEMBL30668384 | 0.87 | — | — | |
| SCHEMBL1092868 | 0.86 | — | — | |
| SCHEMBL18947368 | 0.86 | — | — | |
| SCHEMBL28080798 | 0.85 | — | — | |
| SCHEMBL6905006 | 0.84 | — | — | |
| SCHEMBL6901562 | 0.84 | — | — |
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-0751161-B1 | Sulfur-containing urethane-based resin composition, optical element and lens comprising this resin | MITSUI CHEMICALS INC (JP) | 2003-01-02 | — | — | EP | disclosed |