⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6282434 | 0.73 | ALDH1A1 (0.54) | — | |
| SCHEMBL6891566 | 0.71 | — | — | |
| SCHEMBL690502 | 0.65 | — | — | |
| SCHEMBL432417 | 0.65 | — | — | |
| SCHEMBL28104640 | 0.65 | ALDH1A1 (0.54) | — | |
| SCHEMBL20973 | 0.65 | — | — | |
| SCHEMBL9419406 | 0.65 | CA4 (0.44) | — | |
| SCHEMBL2361024 | 0.65 | — | — | |
| SCHEMBL338357 | 0.62 | — | — | |
| SCHEMBL66157 | 0.62 | — | — |
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 |