⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27752487 | 0.80 | — | — | |
| SCHEMBL1112 | 0.75 | — | — | |
| SCHEMBL18677545 | 0.72 | — | — | |
| SCHEMBL17395329 | 0.72 | CA1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL3518668 | 0.72 | — | — | |
| SCHEMBL7467336 | 0.72 | — | — | |
| SCHEMBL6612325 | 0.72 | CA1 (0.35) | — | |
| Trimethylammonium SCHEMBL27694567 | 0.70 | — | — | |
| SCHEMBL8730198 | 0.69 | KDM4E (0.36) | — | |
| SCHEMBL18826653 | 0.69 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4619689-A | Diphenyl ether derivatives and herbicides containing same | MITSUI TOATSU CHEMICALS, INC. (JP) | 1986-10-28 | — | — | US | disclosed |
| US-4566897-A | Diphenyl ether derivatives and herbicides containing same | MITSUI TOATSU CHEMICALS, INC. (JP) | 1986-01-28 | — | — | US | disclosed |
| US-4515628-A | PRE- AND POSTEMERGENCE | MITSUI TOATSU CHEMICALS, INC. (JP) | 1985-05-07 | — | — | US | disclosed |