⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3250848 | 0.94 | — | — | |
| SCHEMBL1171679 | 0.91 | — | — | |
| SCHEMBL15855910 | 0.91 | ADH1B (0.55) | — | |
| SCHEMBL3237709 | 0.87 | — | — | |
| SCHEMBL19932446 | 0.78 | ADH1B (0.34) | — | |
| SCHEMBL6072132 | 0.75 | — | — | |
| SCHEMBL12614614 | 0.73 | MITF (0.37) | — | |
| SCHEMBL12614210 | 0.69 | ADH1B (0.33) | — | |
| SCHEMBL24290438 | 0.69 | — | — | |
| SCHEMBL20325005 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-102083312-A | Benzene sulfonamide thiazole and oxazole compounds | SMITHKLINE BEECHAM CORP | 2011-06-01 | — | — | CN | disclosed |
| US-20110124647-A1 | INSECTICIDAL DERIVATIVES OF SUBSTITUTED BENZYLAMINES | BAYER CROPSCIENCE AG (DE) | 2011-05-26 | — | — | US | disclosed |