⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL215025 | 0.76 | — | — | |
| SCHEMBL2849170 | 0.73 | — | — | |
| SCHEMBL16597136 | 0.73 | — | — | |
| SCHEMBL20431349 | 0.73 | — | — | |
| SCHEMBL28150652 | 0.72 | — | — | |
| Methane SCHEMBL28174414 | 0.72 | — | — | |
| Hydrogen Sulfide SCHEMBL28251287 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL2278008 | 0.72 | — | — | |
| Bromide SCHEMBL11720833 | 0.72 | — | — | |
| Iodide SCHEMBL19118626 | 0.72 | — | — |
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-4867781-A | PRE- AND POSTEMERGENCE HERBICIDES; NONPHYTOTOXIC | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1989-09-19 | — | — | US | disclosed |