⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10395932 | 0.92 | — | — | |
| SCHEMBL22171051 | 0.81 | — | — | |
| Acetonitrile SCHEMBL15287791 | 0.79 | CES2 (0.43) | — | |
| SCHEMBL11177662 | 0.76 | TSHR (0.50) | — | |
| SCHEMBL10937321 | 0.76 | TSHR (0.50) | — | |
| SCHEMBL11035727 | 0.75 | — | — | |
| SCHEMBL22059672 | 0.75 | — | — | |
| SCHEMBL226036 | 0.74 | CES2 (0.52) | — | |
| SCHEMBL21634053 | 0.73 | CES2 (0.48) | — | |
| SCHEMBL24362145 | 0.72 | THRB (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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0736014-B1 | N-CYANOARYL NITROGEN HETEROCYCLES WITH SULPHUR-CONTAINING GROUPINGS | BAYER AG (DE) | 2001-04-04 | — | — | EP | claimed |
| WO-2020002331-A1 | MICROBIOCIDAL OXADIAZOLE DERIVATIVES | SYNGENTA CROP PROTECTION AG (CH) | 2020-01-02 | — | — | WO | disclosed |
| US-4584012-A | PLANT SAFENING AGENTS | MONSANTO COMPANY (US) | 1986-04-22 | — | — | US | disclosed |
| US-3994976-A | Substituted phenylthioamidines | THE DOW CHEMICAL COMPANY (US) | 1976-11-30 | — | — | US | disclosed |
| US-3933912-A | Substituted phenylthioamidines | THE DOW CHEMICAL COMPANY (US) | 1976-01-20 | — | — | US | disclosed |