⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6361981 | 0.96 | — | — | |
| SCHEMBL6820133 | 0.92 | — | — | |
| SCHEMBL9501461 | 0.88 | — | — | |
| SCHEMBL2418564 | 0.78 | — | — | |
| SCHEMBL1476599 | 0.76 | — | — | |
| SCHEMBL7044766 | 0.74 | — | — | |
| SCHEMBL13703708 | 0.70 | MEN1 (0.33) | — | |
| SCHEMBL6441593 | 0.70 | — | — | |
| SCHEMBL11380736 | 0.69 | CYP3A4 (0.50) | — | |
| SCHEMBL11380042 | 0.67 | CYP3A4 (0.56) | — |
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-0541352-B1 | Method for chlorination of methylated aromatic compounds | KUREHA CHEMICAL IND CO LTD (JP) | 1996-09-04 | — | — | EP | disclosed |
| US-5279719-A | Method for chlorination of methylated aromatic compounds | KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) | 1994-01-18 | — | — | US | disclosed |
| EP-0541352-A1 | Method for chlorination of methylated aromatic compounds | KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) | 1993-05-12 | — | — | EP | disclosed |