⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29486 | 0.98 | — | — | |
| SCHEMBL28121890 | 0.95 | — | — | |
| SCHEMBL9663668 | 0.80 | P2RX7 (0.30) | — | |
| SCHEMBL253245 | 0.80 | P2RX7 (0.30) | — | |
| SCHEMBL3212184 | 0.76 | — | — | |
| SCHEMBL1757260 | 0.76 | — | — | |
| SCHEMBL7377426 | 0.74 | — | — | |
| SCHEMBL4760562 | 0.73 | — | — | |
| SCHEMBL1608163 | 0.73 | ALDH1A1 (0.48) | — | |
| Fumaric Acid SCHEMBL35210763 | 0.71 | TSHR (0.33) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106397345-A | 3-carboxyl-1,2,4-triazole cobalt complex and in-situ synthesis method thereof | 广西师范大学 | 2017-02-15 | — | — | CN | claimed |
| CN-106397345-B | A kind of 3- carboxyl -1,2,4- triazole cobalt complex and its in-situ synthetic method | 广西师范大学 | 2019-02-19 | — | — | CN | disclosed |
| CN-106397345-B | A kind of 3- carboxyl -1,2,4- triazole cobalt complex and its in-situ synthetic method | 广西师范大学 | 2019-02-19 | — | — | CN | disclosed |
| CN-106397345-B | A kind of 3- carboxyl -1,2,4- triazole cobalt complex and its in-situ synthetic method | 广西师范大学 | 2019-02-19 | — | — | CN | disclosed |
| CN-106397345-A | 3-carboxyl-1,2,4-triazole cobalt complex and in-situ synthesis method thereof | 广西师范大学 | 2017-02-15 | — | — | CN | disclosed |
| CN-106397345-A | 3-carboxyl-1,2,4-triazole cobalt complex and in-situ synthesis method thereof | 广西师范大学 | 2017-02-15 | — | — | CN | disclosed |
| CN-106397345-A | 3-carboxyl-1,2,4-triazole cobalt complex and in-situ synthesis method thereof | 广西师范大学 | 2017-02-15 | — | — | CN | disclosed |