⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7564006 | 0.76 | — | — | |
| SCHEMBL7083190 | 0.67 | — | — | |
| SCHEMBL1839959 | 0.63 | — | — | |
| SCHEMBL8470061 | 0.63 | IMPDH2 (0.36) | — | |
| SCHEMBL7687998 | 0.63 | — | — | |
| SCHEMBL16095394 | 0.61 | — | — | |
| SCHEMBL2359993 | 0.60 | NPSR1 (0.35) | — | |
| SCHEMBL20839003 | 0.60 | ADORA2A (0.35) | — | |
| SCHEMBL8182444 | 0.60 | — | — | |
| SCHEMBL5823918 | 0.59 | BACE1 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1994021617-A1 | A PROCESS FOR PREPARING HALOGENATED ISOTHIAZOLES | DOWELANCO (US) | 1994-09-29 | — | — | WO | claimed |
| WO-1994021617-A1 | A PROCESS FOR PREPARING HALOGENATED ISOTHIAZOLES | DOWELANCO (US) | 1994-09-29 | — | — | WO | disclosed |