Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Dichloroacetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 2)
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL2588842 | 0.83 | TSHR (0.35) | — | |
| Dichloroacetic Acid SCHEMBL28481914 | 0.83 | LMNA (0.42) | LMNA | |
| Cadaverine Tartrate SCHEMBL5874856 | 0.82 | TSHR (0.46) | — | |
| Dichloroacetic Acid SCHEMBL28494583 | 0.81 | LMNA (0.40) | LMNA | |
| Oxalic Acid SCHEMBL5875016 | 0.80 | TSHR (0.33) | — | |
| Methylmalonic Acid SCHEMBL5874123 | 0.80 | TP53 (0.31) | — | |
| Lactic Acid SCHEMBL21219128 | 0.80 | TP53 (0.48) | — | |
| Chloroacetic Acid SCHEMBL5874837 | 0.79 | TSHR (0.48) | — | |
| Acetic Acid SCHEMBL5874701 | 0.78 | FFAR3 (0.37) | ALDH1A1 | |
| Di(Hydroxyethyl)Ether SCHEMBL3385606 | 0.78 | TSHR (0.53) | LMNAALDH1A1 |
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-110256240-B | Compound for promoting plant tillering and preparation method and application thereof | 中国农业科学院棉花研究所 | 2020-11-10 | — | — | CN | disclosed |
| US-7128976-B2 | Composition for film formation, method of film formation, and silica-based film | JSR CORPORATION (JP) | 2006-10-31 | — | — | US | disclosed |
| US-20030091838-A1 | Composition for film formation, method of film formation, and silica-based film | JSR CORPORATION (JP) | 2003-05-15 | — | — | US | disclosed |