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.
⚠ 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 | |
|---|---|---|---|---|
| Dichloroacetic Acid SCHEMBL5307050 | 0.82 | LMNA (1.00) | — | |
| Dichloroacetic Acid SCHEMBL1331776 | 0.82 | — | — | |
| Dichloroacetic Acid SCHEMBL7777 | 0.82 | — | — | |
| Dichloroacetic Acid SCHEMBL8610684 | 0.78 | — | — | |
| Dichloroacetic Acid SCHEMBL7263077 | 0.78 | — | — | |
| Dichloroacetic Acid SCHEMBL23923240 | 0.78 | — | — | |
| Dichloroacetic Acid SCHEMBL6912684 | 0.78 | — | — | |
| Dichloroacetic Acid SCHEMBL20876907 | 0.78 | — | — | |
| Dichloroacetic Acid SCHEMBL9682664 | 0.78 | — | — | |
| Dichloroacetic Acid SCHEMBL1083279 | 0.78 | LMNA (0.91) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105646757-B | A kind of preparation method of cationic polymerization system and high degree of unsaturation isoolefin copolymers | 中国石油化工股份有限公司 | 2018-04-13 | — | — | CN | claimed |
| CN-105646757-A | Cationic polymerization system and preparation method of high-unsaturation-degree isoolefin copolymer | 中国石油化工股份有限公司 | 2016-06-08 | — | — | CN | claimed |
| CN-105646757-B | A kind of preparation method of cationic polymerization system and high degree of unsaturation isoolefin copolymers | 中国石油化工股份有限公司 | 2018-04-13 | — | — | CN | disclosed |
| CN-105646757-A | Cationic polymerization system and preparation method of high-unsaturation-degree isoolefin copolymer | 中国石油化工股份有限公司 | 2016-06-08 | — | — | CN | disclosed |