⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL298779 | 0.73 | — | — | |
| SCHEMBL328175 | 0.72 | — | — | |
| SCHEMBL4957348 | 0.67 | TSHR (0.47) | — | |
| SCHEMBL11389603 | 0.67 | — | — | |
| SCHEMBL15728002 | 0.67 | — | — | |
| SCHEMBL1331358 | 0.65 | — | — | |
| SCHEMBL1332028 | 0.65 | — | — | |
| SCHEMBL27679189 | 0.65 | TSHR (0.54) | — | |
| SCHEMBL9584 | 0.65 | — | — | |
| SCHEMBL1331137 | 0.65 | — | — |
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-4175095-A | Process for the manufacture of pentachlorovinylacetyl chloride | CHEMISCHE WERKE HULS, A.G. (DE) | 1979-11-20 | — | — | US | disclosed |