⚠ 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 | |
|---|---|---|---|---|
| Trichloroacetic Acid SCHEMBL7211445 | 0.92 | ALDH1A1 (0.47) | — | |
| Trichloroacetic Acid SCHEMBL108356 | 0.92 | — | — | |
| Trichloroacetic Acid SCHEMBL465138 | 0.92 | ALDH1A1 (0.47) | — | |
| Trichloroacetic Acid SCHEMBL60578 | 0.92 | — | — | |
| Trichloroacetic Acid SCHEMBL19810503 | 0.92 | ALDH1A1 (0.47) | — | |
| Trichloroacetic Acid SCHEMBL18685945 | 0.92 | ALDH1A1 (0.47) | — | |
| Trichloroacetic Acid SCHEMBL6912946 | 0.92 | ALDH1A1 (0.47) | — | |
| Trichloroacetic Acid SCHEMBL1178275 | 0.92 | ALDH1A1 (0.47) | — | |
| Trichloroacetic Acid SCHEMBL11108028 | 0.92 | ALDH1A1 (0.47) | — | |
| Trichloroacetic Acid SCHEMBL6916725 | 0.92 | TSHR (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0670525-B1 | Liquid developer compositions | XEROX CORP (US) | 2001-11-28 | — | — | EP | disclosed |