⚠ 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 | |
|---|---|---|---|---|
| Pyridine SCHEMBL11825158 | 0.89 | TSHR (0.64) | — | |
| Pyridine SCHEMBL1410940 | 0.86 | TSHR (0.60) | — | |
| Pyridine SCHEMBL7388308 | 0.86 | TSHR (0.60) | — | |
| Pyridine SCHEMBL2550527 | 0.86 | — | — | |
| Pyridine SCHEMBL28836661 | 0.86 | — | — | |
| Pyridine SCHEMBL2549030 | 0.86 | — | — | |
| Pyridine SCHEMBL933604 | 0.83 | TSHR (1.00) | — | |
| Pyridine SCHEMBL16 | 0.83 | — | — | |
| SCHEMBL3052767 | 0.83 | TSHR (1.00) | — | |
| Pyridine SCHEMBL1654468 | 0.83 | — | — |
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-106626640-B | A kind of polyester film and preparation method thereof | 常州百佳年代薄膜科技股份有限公司 | 2018-07-17 | — | — | CN | disclosed |