⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL343264 | 0.81 | — | — | |
| 4-Imidazolecarboxylic Acid SCHEMBL20489189 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL1049688 | 0.79 | TSHR (0.39) | — | |
| Hydrochloric Acid SCHEMBL1382983 | 0.79 | — | — | |
| SCHEMBL361611 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL9135847 | 0.77 | — | — | |
| Ammonia Solution, Strong SCHEMBL11220454 | 0.77 | — | — | |
| SCHEMBL20489193 | 0.77 | — | — | |
| SCHEMBL20488159 | 0.76 | GDA (0.34) | — | |
| Trifluoroacetic Acid SCHEMBL3641756 | 0.70 | KMT2A (0.39) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018158365-A1 | MICROBIOCIDAL OXADIAZOLE DERIVATIVES | SYNGENTA PARTICIPATIONS AG (CH) | 2018-09-07 | — | — | WO | disclosed |