⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8602409 | 0.76 | — | — | |
| SCHEMBL27446044 | 0.72 | — | — | |
| SCHEMBL5722007 | 0.69 | — | — | |
| SCHEMBL4348773 | 0.69 | — | — | |
| SCHEMBL8857810 | 0.69 | ACE (0.32) | — | |
| Mercaptopropionic Acid SCHEMBL9340000 | 0.69 | ACE (0.52) | — | |
| SCHEMBL27962253 | 0.67 | — | — | |
| SCHEMBL8375324 | 0.67 | — | — | |
| SCHEMBL7107896 | 0.67 | — | — | |
| SCHEMBL7358019 | 0.67 | — | — |
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-5424472-A | Method of manufacturing a (meth)acryloylthio compound | ROEHM GMBH CHEMISCHE FABRIK PATENTABTEILUNG (DE) | 1995-06-13 | — | — | US | disclosed |