⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27432 | 0.96 | — | — | |
| Pyruvate SCHEMBL5054355 | 0.94 | ALDH1A1 (0.48) | — | |
| SCHEMBL27475050 | 0.93 | — | — | |
| SCHEMBL4633009 | 0.93 | — | — | |
| SCHEMBL4632179 | 0.93 | — | — | |
| SCHEMBL27817051 | 0.93 | — | — | |
| Ammonia Solution, Strong SCHEMBL29165044 | 0.90 | — | — | |
| Cyclopropane SCHEMBL27492181 | 0.87 | ALDH1A1 (0.48) | — | |
| SCHEMBL28868431 | 0.84 | ALDH1A1 (0.52) | — | |
| Glyoxylate SCHEMBL29215791 | 0.84 | ALDH1A1 (0.40) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105153024-A | Synthetic method of 3,4-substituted 2-picolinic acid | CHENGDU TONGCHUANGYUAN PHARMACEUTICAL CO LTD | 2015-12-16 | — | — | CN | claimed |
| CN-105153024-A | Synthetic method of 3,4-substituted 2-picolinic acid | CHENGDU TONGCHUANGYUAN PHARMACEUTICAL CO LTD | 2015-12-16 | — | — | CN | disclosed |