⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21421417 | 0.85 | — | — | |
| SCHEMBL17103791 | 0.85 | — | — | |
| SCHEMBL331047 | 0.84 | — | — | |
| SCHEMBL127070 | 0.84 | — | — | |
| SCHEMBL19616458 | 0.84 | — | — | |
| SCHEMBL21624982 | 0.82 | — | — | |
| Hydrogen Sulfide SCHEMBL17010766 | 0.82 | — | — | |
| SCHEMBL28931193 | 0.82 | — | — | |
| SCHEMBL8589554 | 0.80 | — | — | |
| SCHEMBL26006913 | 0.80 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023176153-A1 | POLYTHIOURETHANE FILM, MATERIAL FOR SPECTACLE LENS, SPECTACLE LENS, AND PRODUCTION METHOD FOR SPECTACLE LENS | 三井化学株式会社 | 2023-09-21 | — | — | WO | disclosed |
| CN-109073781-B | Optical materials comprising red-shifted benzotriazole UV absorbers | 依视路国际公司 | 2022-08-02 | — | — | CN | disclosed |
| WO-2020040141-A1 | (METH)ACRYLATE, MONOMER COMPOSITION FOR DENTAL MATERIAL, MOLDED BODY, COMPOSITION FOR DENTAL MATERIAL, DENTAL MATERIAL, AND METHOD FOR PRODUCING (METH)ACRYLATE | 三井化学株式会社 | 2020-02-27 | — | — | WO | disclosed |