⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2210588 | 0.88 | ACHE (0.44) | — | |
| SCHEMBL301059 | 0.84 | TDP1 (0.45) | — | |
| SCHEMBL1241416 | 0.82 | TDP1 (0.43) | — | |
| SCHEMBL11313233 | 0.82 | CA1 (0.52) | — | |
| SCHEMBL11325363 | 0.82 | TP53 (0.46) | — | |
| SCHEMBL7198901 | 0.80 | TYR (0.52) | — | |
| SCHEMBL3820898 | 0.80 | — | — | |
| SCHEMBL7196433 | 0.78 | — | — | |
| SCHEMBL1742459 | 0.76 | TDP1 (0.38) | — | |
| SCHEMBL11318825 | 0.71 | ALDH1A1 (0.38) | — |
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-0587050-B1 | Process for the preparation of an aromatic group substituted olefins from chloroaromatics | HOECHST AG (DE) | 1996-03-13 | — | — | EP | disclosed |
| EP-0587050-A1 | Process for the preparation of an aromatic group substituted olefins from chloroaromatics | HOECHST AKTIENGESELLSCHAFT (DE) | 1994-03-16 | — | — | EP | disclosed |