⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1148186 | 0.67 | — | — | |
| Carbon Tetrachloride SCHEMBL718660 | 0.64 | — | — | |
| SCHEMBL10835078 | 0.64 | — | — | |
| SCHEMBL21085 | 0.61 | — | — | |
| SCHEMBL17456394 | 0.61 | — | — | |
| SCHEMBL3026962 | 0.58 | — | — | |
| SCHEMBL1527740 | 0.57 | — | — | |
| SCHEMBL28766969 | 0.57 | — | — | |
| SCHEMBL28638900 | 0.57 | — | — | |
| SCHEMBL5527753 | 0.57 | — | — |
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-0772577-A1 | CHLOROALKYLATION OF AROMATIC COMPOUNDS | ALBEMARLE CORPORATION (US) | 1997-05-14 | — | — | EP | disclosed |
| WO-1996002482-A1 | CHLOROALKYLATION OF AROMATIC COMPOUNDS | ALBEMARLE CORPORATION (US) | 1996-02-01 | — | — | WO | disclosed |