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 SCHEMBL1331776 | 0.95 | — | — | |
| Dichloroacetic Acid SCHEMBL5307050 | 0.95 | LMNA (1.00) | — | |
| Dichloroacetic Acid SCHEMBL7777 | 0.95 | — | — | |
| Dichloroacetic Acid SCHEMBL3807223 | 0.91 | — | — | |
| Dichloroacetic Acid SCHEMBL6912684 | 0.91 | — | — | |
| Dichloroacetic Acid SCHEMBL23923240 | 0.91 | — | — | |
| Dichloroacetic Acid SCHEMBL6914108 | 0.91 | — | — | |
| Dichloroacetic Acid SCHEMBL6913523 | 0.91 | — | — | |
| Dichloroacetic Acid SCHEMBL8610684 | 0.91 | — | — | |
| Dichloroacetic Acid SCHEMBL1083279 | 0.91 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5137858-A | Catalyst composition containing monophosphines | SHELL OIL COMPANY (US) | 1992-08-11 | — | — | US | disclosed |
| US-5010172-A | Polymerization of carbon monoxide/olefin with tertiary monophosphine or secondary monophosphine oxide | SHELL OIL COMPANY (US) | 1991-04-23 | — | — | US | disclosed |