⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1413270 | 0.77 | — | — | |
| SCHEMBL3756938 | 0.76 | — | — | |
| SCHEMBL1413308 | 0.74 | — | — | |
| SCHEMBL28026762 | 0.73 | — | — | |
| SCHEMBL1402834 | 0.71 | — | — | |
| SCHEMBL28415778 | 0.68 | MEN1 (0.33) | — | |
| SCHEMBL28027261 | 0.67 | — | — | |
| SCHEMBL1402767 | 0.67 | — | — | |
| SCHEMBL21409487 | 0.67 | — | — | |
| SCHEMBL28914588 | 0.66 | SMN1; SMN2 (0.32) | — |
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-102089346-B | Composition, polymerizable composition, resin, optical member, and method for producing composition | MITSUI CHEMICALS INC | 2013-07-31 | — | — | CN | disclosed |
| CN-102089346-A | Composition, polymerizable composition, resin, optical member, and method for producing composition | MITSUI CHEMICALS INC | 2011-06-08 | — | — | CN | disclosed |
| CN-101443413-A | Polymerizable composition, resin using the same, optical component and lens | MITSUI CHEMICALS INC (JP) | 2009-05-27 | — | — | CN | disclosed |
| CN-101400722-A | Polymerizable composition, resin using the same and optical component | MITSUI CHEMICALS INC (JP) | 2009-04-01 | — | — | CN | disclosed |