⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4671436 | 0.86 | — | — | |
| SCHEMBL14699482 | 0.85 | — | — | |
| SCHEMBL4748100 | 0.84 | CYP3A4 (0.31) | — | |
| SCHEMBL7145273 | 0.82 | MAPK1 (0.31) | — | |
| SCHEMBL2670466 | 0.82 | GAA (0.35) | — | |
| SCHEMBL929740 | 0.74 | POLB (0.41) | — | |
| SCHEMBL2318788 | 0.73 | TSHR (0.32) | — | |
| SCHEMBL6651445 | 0.71 | TSHR (0.31) | — | |
| SCHEMBL585092 | 0.71 | CYP17A1 (0.36) | — | |
| SCHEMBL2360564 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012172043-A1 | PURINE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS FOR PREVENTION OR TREATMENT OF BACTERIAL INFECTIONS | LABORATOIRE BIODIM (FR) | 2012-12-20 | — | — | WO | disclosed |