⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6423396 | 0.85 | DGKA (0.36) | — | |
| SCHEMBL7227081 | 0.80 | — | — | |
| SCHEMBL29094028 | 0.80 | NAAA (0.43) | — | |
| SCHEMBL17404784 | 0.80 | NAAA (0.38) | — | |
| SCHEMBL1417200 | 0.79 | — | — | |
| SCHEMBL6422929 | 0.78 | TSHR (0.39) | — | |
| SCHEMBL10011077 | 0.78 | MEN1 (0.43) | — | |
| SCHEMBL9025731 | 0.76 | — | — | |
| SCHEMBL14052876 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL16024226 | 0.74 | MAPT (0.40) | — |
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-6528455-B1 | Post or preemergence herbicides such as 3-(4-chloro-2-fluoro -5-(1-methoxycarbonyl-1-vinyloxy)phenyl)-1-methyl-6-trifluoro methyl-2,4-pyrimidinedione | BASF AKTIENGESELLSCHAFT (DE) | 2003-03-04 | — | — | US | disclosed |