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 SCHEMBL1332060 | 0.82 | — | — | |
| SCHEMBL13801232 | 0.77 | — | — | |
| Dichloroacetic Acid SCHEMBL27654461 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL10453276 | 0.74 | — | — | |
| Dichloroacetic Acid SCHEMBL7777 | 0.73 | — | — | |
| Dichloroacetic Acid SCHEMBL5307050 | 0.73 | LMNA (1.00) | — | |
| Dichloroacetic Acid SCHEMBL1331776 | 0.73 | — | — | |
| SCHEMBL11416989 | 0.72 | — | — | |
| SCHEMBL31663464 | 0.72 | — | — | |
| Dichloroacetic Acid SCHEMBL23923240 | 0.70 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6369172-B1 | BLOWING AGENTS FOR THERMOPLASTIC FOAMS | TICONA GMBH (DE) | 2002-04-09 | — | — | US | disclosed |