⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL331610 | 0.79 | — | — | |
| SCHEMBL27572647 | 0.78 | — | — | |
| SCHEMBL4130859 | 0.71 | — | — | |
| SCHEMBL6846519 | 0.71 | — | — | |
| SCHEMBL332124 | 0.71 | — | — | |
| SCHEMBL29098939 | 0.69 | — | — | |
| SCHEMBL459596 | 0.69 | — | — | |
| SCHEMBL4125555 | 0.68 | — | — | |
| SCHEMBL6443976 | 0.68 | — | — | |
| SCHEMBL29539835 | 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 |
|---|---|---|---|---|---|---|---|
| EP-0506315-B1 | Optical urethane resins and plastic lenses comprising the same | MITSUI TOATSU CHEMICALS (JP) | 1996-08-14 | — | — | EP | disclosed |
| EP-0506315-A2 | Optical urethane resins and plastic lenses comprising the same | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1992-09-30 | — | — | EP | disclosed |