⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL659129 | 0.63 | — | — | |
| SCHEMBL5331230 | 0.57 | — | — | |
| SCHEMBL15845369 | 0.54 | — | — | |
| SCHEMBL17044828 | 0.41 | TSHR (0.33) | — | |
| SCHEMBL1273 | 0.41 | — | — | |
| Acetonitrile SCHEMBL11579819 | 0.41 | TSHR (0.31) | — | |
| Acetonitrile SCHEMBL11069435 | 0.41 | — | — | |
| Water SCHEMBL3257483 | 0.40 | — | — | |
| Water SCHEMBL2910329 | 0.40 | — | — | |
| Water SCHEMBL9718034 | 0.40 | — | — |
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-3370524-A1 | SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI | BASF SE (DE) | 2018-09-12 | — | — | EP | disclosed |
| WO-2017076742-A1 | SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI | BASF SE (DE) | 2017-05-11 | — | — | WO | disclosed |
| US-20120202856-A1 | SUBSTITUTED BENZIMDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2012-08-09 | — | — | US | disclosed |