⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27972050 | 0.84 | P2RX7 (0.34) | — | |
| SCHEMBL378063 | 0.82 | P2RX7 (0.46) | — | |
| SCHEMBL3466731 | 0.82 | PDK4 (0.42) | — | |
| SCHEMBL7890518 | 0.77 | QDPR (0.33) | — | |
| SCHEMBL21274597 | 0.75 | KCNH2 (0.30) | — | |
| SCHEMBL986716 | 0.74 | P2RX7 (0.51) | — | |
| SCHEMBL29756950 | 0.73 | P2RX7 (0.38) | — | |
| SCHEMBL31088410 | 0.71 | — | — | |
| SCHEMBL20606348 | 0.71 | P2RX7 (0.54) | — | |
| SCHEMBL2491645 | 0.71 | P2RX7 (0.46) | — |
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-2009081259-A1 | PHENOXY-PYRIDYL DERIVATIVES | PFIZER INC. (US) | 2009-07-02 | — | — | WO | disclosed |