⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL49256 | 0.82 | — | — | |
| SCHEMBL27744727 | 0.76 | — | — | |
| SCHEMBL28296861 | 0.76 | — | — | |
| Fluoride SCHEMBL27257954 | 0.76 | — | — | |
| SCHEMBL28127318 | 0.68 | — | — | |
| SCHEMBL9160703 | 0.63 | — | — | |
| Lindane SCHEMBL4466086 | 0.60 | LMNA (0.46) | — | |
| SCHEMBL27533891 | 0.60 | — | — | |
| SCHEMBL874375 | 0.59 | — | — | |
| SCHEMBL15611834 | 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-109153681-A | Novel 5H-pyrrolo [2, 3-d ] pyrimidin-6 (7H) -one derivatives | 大鹏药品工业株式会社 | 2019-01-04 | — | — | CN | disclosed |