⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18504473 | 0.90 | — | — | |
| SCHEMBL18503914 | 0.88 | — | — | |
| SCHEMBL22563963 | 0.88 | — | — | |
| SCHEMBL18500403 | 0.87 | — | — | |
| SCHEMBL18500398 | 0.87 | HCAR1 (0.32) | — | |
| SCHEMBL18504869 | 0.87 | FFAR1 (0.30) | — | |
| SCHEMBL18504518 | 0.86 | HSP90AA1 (0.31) | — | |
| SCHEMBL18503910 | 0.85 | DAO (0.32) | — | |
| SCHEMBL18504868 | 0.85 | NR1H4 (0.31) | — | |
| SCHEMBL18504520 | 0.85 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9565856-B2 | Tetrazolinone compounds and its use as pesticides | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2017-02-14 | — | — | US | disclosed |