⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15286201 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL28378949 | 0.70 | — | — | |
| SCHEMBL28378169 | 0.70 | — | — | |
| SCHEMBL16534273 | 0.69 | — | — | |
| SCHEMBL23726556 | 0.65 | — | — | |
| SCHEMBL15285796 | 0.64 | — | — | |
| SCHEMBL20093623 | 0.64 | — | — | |
| SCHEMBL20878813 | 0.64 | MEN1 (0.38) | — | |
| SCHEMBL15286026 | 0.62 | CYP1A2 (0.31) | — | |
| SCHEMBL2356333 | 0.59 | — | — |
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-101801384-A | Preparation is based on the method for the chemical compound of 4-phenyl-6-(2,2,2-three fluoro-1-phenyl ethoxies) pyrimidine | LEXICON PHARMACEUTICALS INC | 2010-08-11 | — | — | CN | disclosed |