⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14346468 | 0.95 | TDP1 (0.33) | — | |
| SCHEMBL127427 | 0.95 | — | — | |
| Hydrogen Sulfide SCHEMBL8556020 | 0.91 | — | — | |
| SCHEMBL429634 | 0.91 | TDP1 (0.31) | — | |
| SCHEMBL5075150 | 0.91 | TDP1 (0.31) | — | |
| SCHEMBL331000 | 0.91 | TDP1 (0.31) | — | |
| SCHEMBL8570859 | 0.84 | — | — | |
| SCHEMBL9055140 | 0.84 | — | — | |
| Methylsulfanylmethane SCHEMBL9173804 | 0.84 | — | — | |
| SCHEMBL331119 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1524289-B1 | POLYMERIZABLE COMPOSITION, OPTICAL MATERIAL COMPRISING THE COMPOSITION AND METHOD FOR PRODUCING THE MATERIAL | MITSUBISHI GAS CHEMICAL CO (JP) | 2009-09-16 | — | — | EP | disclosed |
| EP-1524289-A1 | POLYMERIZABLE COMPOSITION, OPTICAL MATERIAL COMPRISING THE COMPOSITION AND METHOD FOR PRODUCING THE MATERIAL | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2005-04-20 | — | — | EP | disclosed |