⚠ 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 | |
|---|---|---|---|---|
| Fluoride SCHEMBL27852601 | 0.92 | — | — | |
| SCHEMBL2913002 | 0.89 | — | — | |
| SCHEMBL2920112 | 0.88 | — | — | |
| Fluoride SCHEMBL27941602 | 0.88 | PTGS2 (0.31) | — | |
| Fluoride SCHEMBL27852607 | 0.87 | F10 (0.30) | — | |
| Fluoride SCHEMBL27852683 | 0.87 | NR1H2 (0.31) | — | |
| Fluoride SCHEMBL27834809 | 0.86 | — | — | |
| Fluoride SCHEMBL27834876 | 0.84 | CNR2 (0.30) | — | |
| SCHEMBL2918397 | 0.83 | — | — | |
| SCHEMBL2919890 | 0.82 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103664811-B | (1H-1,2,4-triazol-1-yl) aryl compound and preparation method thereof | IHARA CHEMICAL IND CO. (JP) | 2015-09-16 | — | — | CN | disclosed |
| CN-103664811-A | Aryl (1h-1,2,4-triazol-1-yl) compound, and process for production thereof | IHARA CHEMICAL IND CO | 2014-03-26 | — | — | CN | disclosed |
| CN-101910140-A | (1H-1,2, 4-triazol-1-yl) aryl compounds and process for producing the same | IHARA CHEMICAL IND CO | 2010-12-08 | — | — | CN | disclosed |