⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10564153 | 0.70 | — | — | |
| SCHEMBL8865920 | 0.62 | — | — | |
| SCHEMBL2817374 | 0.60 | — | — | |
| SCHEMBL8866178 | 0.60 | — | — | |
| SCHEMBL3217422 | 0.57 | — | — | |
| SCHEMBL4759140 | 0.57 | — | — | |
| SCHEMBL2816040 | 0.55 | — | — | |
| SCHEMBL2813515 | 0.55 | — | — | |
| SCHEMBL7636342 | 0.52 | — | — | |
| SCHEMBL10339433 | 0.52 | MEN1 (0.33) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1418169-B1 | Process for the preparation of polyhalogenoalkylaryl compounds | SALTIGO GMBH (DE) | 2009-02-25 | — | — | EP | disclosed |
| US-20040092762-A1 | Polyhaloalkylaryls | LANXESS DEUTSCHLAND GMBH (DE) | 2004-05-13 | — | — | US | disclosed |
| EP-1418169-A2 | Polyhalogenoalkylaryl compounds | Bayer Chemicals AG (DE) | 2004-05-12 | — | — | EP | disclosed |