⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6014787 | 0.79 | KDM5B (0.34) | — | |
| SCHEMBL20522044 | 0.79 | — | — | |
| SCHEMBL68054 | 0.76 | IDO1 (0.33) | — | |
| SCHEMBL8802637 | 0.76 | HTR2A (0.38) | — | |
| SCHEMBL22276441 | 0.73 | — | — | |
| SCHEMBL21218873 | 0.73 | AGBL2 (0.35) | — | |
| SCHEMBL28247874 | 0.73 | CACNA1H (0.35) | — | |
| SCHEMBL28242949 | 0.71 | KIF11 (0.40) | — | |
| SCHEMBL20521581 | 0.70 | P2RX7 (0.36) | — | |
| SCHEMBL20607406 | 0.70 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106279024-B | A kind of xanthine oxidoreductase inhibitors and the preparation method and application thereof | 华南理工大学 | 2018-09-14 | — | — | CN | disclosed |
| CN-107922392-A | 1 (miscellaneous) aryl sulfonyl (pyrrolidines or piperidines) 2 carboxamides derivatives and its purposes as TRPA1 antagonists | 豪夫迈·罗氏有限公司 | 2018-04-17 | — | — | CN | disclosed |
| CN-101861312-A | 2-[4-(pyrazol-4-ylalkyl)piperazin-1-yl]-3-phenyl pyrazines and pyridines and 3-[4-(pyrazol-4-ylalkyl)piperazin-1-yl]-2-phenyl pyridines as 5-HT7 receptor antagonists | LILLY CO ELI | 2010-10-13 | — | — | CN | disclosed |
| CN-101855227-A | Heterocyclic derivatives | ORGANON NV | 2010-10-06 | — | — | CN | disclosed |
| CN-101528761-A | Avermectin derivatives | BAYER CROPSCIENCE AG (DE) | 2009-09-09 | — | — | CN | disclosed |