⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8963055 | 0.86 | — | — | |
| SCHEMBL8963271 | 0.86 | KDM1A (0.37) | — | |
| SCHEMBL8963058 | 0.84 | NPY5R (0.31) | — | |
| SCHEMBL8962840 | 0.84 | — | — | |
| SCHEMBL8963293 | 0.84 | SLC6A2 (0.33) | — | |
| SCHEMBL8962654 | 0.83 | KDM1A (0.34) | — | |
| SCHEMBL8963108 | 0.82 | — | — | |
| SCHEMBL8962988 | 0.82 | TRPV4 (0.34) | — | |
| SCHEMBL8963226 | 0.82 | TLR9 (0.33) | — | |
| SCHEMBL8453113 | 0.81 | — | — |
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-0559860-B1 | HALOVINYL-DERIVATIVES | HOFFMANN LA ROCHE (CH) | 1996-02-14 | — | — | EP | disclosed |
| US-5364556-A | Halovinyl-derivatives | HOFFMANN-LA ROCHE INC. (US) | 1994-11-15 | — | — | US | disclosed |
| WO-1993007234-A1 | HALOVINYL-DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1993-04-15 | — | — | WO | disclosed |