⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9725731 | 0.84 | — | — | |
| SCHEMBL9719568 | 0.77 | CYP1A2 (0.39) | — | |
| SCHEMBL17090744 | 0.72 | — | — | |
| SCHEMBL9428133 | 0.69 | — | — | |
| SCHEMBL11319456 | 0.69 | — | — | |
| SCHEMBL7772105 | 0.68 | — | — | |
| SCHEMBL7772104 | 0.68 | — | — | |
| SCHEMBL19339202 | 0.66 | DAO (0.33) | — | |
| SCHEMBL11487692 | 0.65 | CYP1A2 (0.31) | — | |
| SCHEMBL42998 | 0.64 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0559860-A1 | HALOVINYL-DERIVATIVES. | HOFFMANN LA ROCHE (CH) | 1993-09-15 | — | — | EP | disclosed |
| WO-1993007234-A1 | HALOVINYL-DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1993-04-15 | — | — | WO | disclosed |