⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL444762 | 0.96 | LMNA (0.42) | — | |
| SCHEMBL134743 | 0.96 | — | — | |
| SCHEMBL28357915 | 0.92 | — | — | |
| SCHEMBL27698679 | 0.92 | — | — | |
| Urea SCHEMBL4556929 | 0.92 | — | — | |
| Phosphine SCHEMBL29114657 | 0.92 | — | — | |
| Formaldehyde SCHEMBL4446179 | 0.88 | — | — | |
| Propiolic Acid SCHEMBL15514961 | 0.85 | ACHE (0.40) | — | |
| Sulfuric Acid SCHEMBL28542826 | 0.82 | BLM (0.42) | — | |
| Propyne SCHEMBL29032103 | 0.69 | LMNA (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105766899-A | Solid Herbicide Compositions With Built-in Adjuvant | 陶氏益农公司 | 2016-07-20 | — | — | CN | disclosed |