⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8330485 | 0.67 | TSHR (0.32) | — | |
| SCHEMBL1907225 | 0.65 | — | — | |
| SCHEMBL18754881 | 0.61 | — | — | |
| SCHEMBL12764199 | 0.61 | — | — | |
| SCHEMBL11866635 | 0.61 | — | — | |
| SCHEMBL6970571 | 0.57 | — | — | |
| SCHEMBL9462163 | 0.57 | — | — | |
| SCHEMBL19155676 | 0.57 | — | — | |
| SCHEMBL16131098 | 0.57 | — | — | |
| SCHEMBL24198251 | 0.56 | — | — |
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-8288538-B2 | Pyridine derivatives and pyrimidine derivatives (3) | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2012-10-16 | — | — | US | disclosed |
| US-7998948-B2 | Pharmaceutical composition for treating esophageal cancer | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2011-08-16 | — | — | US | disclosed |
| US-20100075944-A1 | NOVEL PYRIDINE DERIVATIVES AND PYRIMIDINE DERIVATIVES (3) | MATSUSHIMA TOMOHIRO | 2010-03-25 | — | — | US | disclosed |