⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1495773 | 0.75 | — | — | |
| SCHEMBL371923 | 0.73 | — | — | |
| SCHEMBL6739152 | 0.73 | ALDH1A1 (0.52) | — | |
| SCHEMBL134598 | 0.71 | — | — | |
| SCHEMBL6257440 | 0.71 | — | — | |
| Trichloroacetic Acid SCHEMBL10549726 | 0.71 | TSHR (0.67) | — | |
| SCHEMBL557277 | 0.71 | ALDH1A1 (0.40) | — | |
| Trichloroacetic Acid SCHEMBL3625877 | 0.69 | TSHR (0.77) | — | |
| SCHEMBL28035228 | 0.69 | ALDH1A1 (0.38) | — | |
| SCHEMBL22234545 | 0.69 | ALDH1A1 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0100498-A1 | Process for the manufacture of dichlorolactic acid or the nitrile or the amide of dichlorolactic acid | BASF Aktiengesellschaft (DE) | 1984-02-15 | — | — | EP | disclosed |
| EP-0100498-A1 | Process for the manufacture of dichlorolactic acid or the nitrile or the amide of dichlorolactic acid | BASF Aktiengesellschaft (DE) | 1984-02-15 | — | — | EP | disclosed |