⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1852554 | 0.85 | THRB (0.36) | — | |
| SCHEMBL28051590 | 0.85 | THRB (0.36) | — | |
| SCHEMBL28242643 | 0.81 | THRB (0.33) | — | |
| SCHEMBL28957586 | 0.79 | — | — | |
| SCHEMBL5163889 | 0.74 | TSHR (0.30) | — | |
| SCHEMBL11210989 | 0.72 | THRB (0.37) | — | |
| SCHEMBL22554352 | 0.70 | — | — | |
| SCHEMBL1644236 | 0.69 | THRB (0.37) | — | |
| SCHEMBL1770458 | 0.68 | TSHR (0.33) | — | |
| SCHEMBL1852556 | 0.68 | THRB (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106537636-A | Packaging material for power storage device, and power storage device using same | 凸版印刷株式会社 | 2017-03-22 | — | — | CN | disclosed |
| CN-106133943-A | Lithium battery encapsulating material | 凸版印刷株式会社 | 2016-11-16 | — | — | CN | disclosed |