⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11192011 | 0.72 | — | — | |
| SCHEMBL381622 | 0.63 | — | — | |
| SCHEMBL5309363 | 0.63 | — | — | |
| SCHEMBL548084 | 0.58 | — | — | |
| Methane SCHEMBL11597142 | 0.58 | — | — | |
| SCHEMBL7054849 | 0.58 | — | — | |
| Water SCHEMBL5795684 | 0.58 | — | — | |
| SCHEMBL5687784 | 0.58 | — | — | |
| SCHEMBL381041 | 0.54 | — | — | |
| SCHEMBL63211 | 0.54 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5753730-A | Plastic lenses having a high-refractive index, process for the preparation thereof and casting polymerization process for preparing sulfur-containing urethane resin lens and lens prepared thereby | MITSUI TOATSU CHEMICALS, INC. (JP) | 1998-05-19 | — | — | US | disclosed |
| US-5594088-A | PLASTICS WITH SULFIDE GROUPS, NONIONIC SURFACTANTS, SILICONE SURFACTANTS AND QUATERNARY AMMONIUM SALTS AS RELEASE AGENTS | MITSUI TOATSU CHEMICALS, INC. (JP) | 1997-01-14 | — | — | US | disclosed |