⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9392012 | 0.76 | — | — | |
| SCHEMBL7083190 | 0.67 | — | — | |
| SCHEMBL4555927 | 0.66 | — | — | |
| SCHEMBL11690149 | 0.64 | NPSR1 (0.31) | — | |
| SCHEMBL21587313 | 0.63 | NPSR1 (0.30) | — | |
| SCHEMBL11385340 | 0.63 | — | — | |
| SCHEMBL8470126 | 0.62 | IMPDH2 (0.35) | — | |
| SCHEMBL3887504 | 0.61 | — | — | |
| SCHEMBL5465101 | 0.61 | — | — | |
| SCHEMBL2359993 | 0.60 | NPSR1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002032887-A1 | PROCESS FOR PREPARING 5-AMINO-3-ALKYLISOTHIAZOLES AND 5-AMINO-4-CHLORO-3-ALKYLISOTHIAZOLES | SYNGENTA LIMITED (GB) | 2002-04-25 | — | — | WO | disclosed |
| WO-2002032887-A1 | PROCESS FOR PREPARING 5-AMINO-3-ALKYLISOTHIAZOLES AND 5-AMINO-4-CHLORO-3-ALKYLISOTHIAZOLES | SYNGENTA LIMITED (GB) | 2002-04-25 | — | — | WO | disclosed |
| WO-2000068214-A1 | PROCESS FOR THE PREPARATION OF 5-AMINO-3-ALKYLISOTHIAZOLE COMPOUNDS AND OF 5-AMINO-4-CHLORO-3-ALKYLISOTHIAZOLE COMPOUNDS | SYNGENTA LIMITED (GB) | 2000-11-16 | — | — | WO | disclosed |