⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17804681 | 0.78 | — | — | |
| SCHEMBL21092315 | 0.76 | TRPA1 (0.33) | — | |
| SCHEMBL14402932 | 0.76 | NR1I2 (0.34) | — | |
| SCHEMBL13594178 | 0.76 | — | — | |
| SCHEMBL10145318 | 0.75 | — | — | |
| SCHEMBL7056424 | 0.75 | — | — | |
| SCHEMBL19152199 | 0.75 | — | — | |
| SCHEMBL22549698 | 0.75 | SOAT1 (0.46) | — | |
| SCHEMBL20824940 | 0.75 | — | — | |
| SCHEMBL22828294 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2664619-B1 | Purine derivatives as tools for screening anti-Alzheimer compounds | MANROS THERAPEUTICS (FR) | 2017-07-12 | — | — | EP | disclosed |
| EP-2261218-A2 | Process for preparing phenyl-, pyridinyl- or pyrimidinyl-substituted imidazoles | Eisai R&D Management Co., Ltd. (JP) | 2010-12-15 | — | — | EP | disclosed |
| EP-1718632-B1 | PYRIMIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS | SANOFI AVENTIS (FR) | 2009-04-22 | — | — | EP | disclosed |