⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8621147 | 0.65 | — | — | |
| SCHEMBL8625587 | 0.65 | — | — | |
| SCHEMBL1923502 | 0.64 | — | — | |
| SCHEMBL184140 | 0.61 | MPO (0.33) | — | |
| SCHEMBL4838395 | 0.59 | — | — | |
| SCHEMBL336074 | 0.58 | — | — | |
| SCHEMBL11101432 | 0.55 | — | — | |
| SCHEMBL4357232 | 0.55 | — | — | |
| SCHEMBL7569561 | 0.53 | — | — | |
| SCHEMBL18198918 | 0.53 | — | — |
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-8022208-B2 | Benzene derivative or salt thereof | ASTELLAS PHARMA INC. (JP) | 2011-09-20 | — | — | US | disclosed |
| US-20090054352-A1 | BENZENE DERIVATIVE OR SALT THEREOF | ASTELLAS PHARMA INC. (JP) | 2009-02-26 | — | — | US | disclosed |
| US-4638068-A | 2-(2-imidazolin-2-yl)-pyridines and quinolines, process and intermediates for the preparation thereof, and use of said compounds as herbicidal agents | AMERICAN CYANAMID COMPANY (US) | 1987-01-20 | — | — | US | disclosed |