⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5278040 | 0.75 | KCNJ1 (0.36) | — | |
| SCHEMBL4502875 | 0.73 | — | — | |
| SCHEMBL707611 | 0.71 | — | — | |
| SCHEMBL8401872 | 0.70 | KCNJ1 (0.41) | — | |
| Methyl Alcohol SCHEMBL6829354 | 0.68 | KCNJ1 (0.36) | — | |
| SCHEMBL29110810 | 0.67 | — | — | |
| SCHEMBL28411403 | 0.65 | KCNJ1 (0.34) | — | |
| SCHEMBL14321614 | 0.62 | — | — | |
| SCHEMBL28858632 | 0.60 | — | — | |
| SCHEMBL5275093 | 0.59 | HMGCR (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-11152278-A | — | — | None | — | — | JP | disclosed |
| JP-H11152278-A | TETRAZOLINE HERBICIDE | E I DU PONT DE NEMOURS & CO | 1999-06-08 | — | — | JP | disclosed |