⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1402589 | 0.85 | — | — | |
| SCHEMBL28027261 | 0.83 | — | — | |
| SCHEMBL28027273 | 0.82 | — | — | |
| SCHEMBL1402801 | 0.79 | — | — | |
| SCHEMBL28026761 | 0.79 | — | — | |
| SCHEMBL1402568 | 0.78 | — | — | |
| SCHEMBL1402504 | 0.78 | — | — | |
| SCHEMBL3849230 | 0.77 | — | — | |
| SCHEMBL1402449 | 0.76 | — | — | |
| SCHEMBL25773243 | 0.76 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105556351-A | Optical material and use thereof | MITSU CHEMICALS INC | 2016-05-04 | — | — | CN | disclosed |
| CN-105518492-A | Optical material and use therefor | MITSU CHEMICALS INC | 2016-04-20 | — | — | CN | disclosed |
| CN-104969092-A | Optical material and use thereof | MITSUI CHEMICALS INC | 2015-10-07 | — | — | CN | disclosed |
| CN-104903754-A | Optical material, composition for optical material, and use thereof | MITSU CHEMICALS INC | 2015-09-09 | — | — | CN | disclosed |