⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3930566 | 0.84 | PPARA (0.72) | — | |
| SCHEMBL28330167 | 0.84 | PPARA (0.72) | — | |
| SCHEMBL29363194 | 0.84 | PPARA (0.72) | — | |
| SCHEMBL30697259 | 0.84 | PPARA (0.72) | — | |
| SCHEMBL1275931 | 0.84 | PPARA (0.72) | — | |
| SCHEMBL31220575 | 0.84 | PPARA (0.72) | — | |
| SCHEMBL711853 | 0.84 | PPARA (0.72) | — | |
| SCHEMBL8461758 | 0.84 | PPARA (0.72) | — | |
| SCHEMBL4285667 | 0.84 | PPARA (0.72) | — | |
| SCHEMBL2879182 | 0.84 | CNR2 (0.45) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-111763015-A | Heating type graphene glass and preparation method thereof | 长沙麓桥科技有限公司 | 2020-10-13 | — | — | CN | claimed |