⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7528138 | 0.85 | MEN1 (0.33) | — | |
| SCHEMBL6131956 | 0.83 | SLC2A1 (0.35) | — | |
| SCHEMBL7525851 | 0.82 | TDP1 (0.32) | — | |
| SCHEMBL10106936 | 0.79 | SLC2A1 (0.36) | — | |
| SCHEMBL7528995 | 0.76 | ALDH1A1 (0.37) | — | |
| SCHEMBL10102406 | 0.76 | SLC2A1 (0.36) | — | |
| SCHEMBL10102270 | 0.75 | CALM1 (0.32) | — | |
| SCHEMBL7534540 | 0.73 | CNR1 (0.32) | — | |
| SCHEMBL12259683 | 0.73 | MEN1 (0.34) | — | |
| SCHEMBL10102268 | 0.72 | SLC2A1 (0.36) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3521322-A1 | POLYMERIZABLE COMPOSITION FOR OPTICAL MATERIALS, AND MOLDED BODY | Mitsui Chemicals, Inc. (JP) | 2019-08-07 | — | — | EP | disclosed |