⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL255507 | 0.97 | — | — | |
| SCHEMBL29457380 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL34460386 | 0.94 | — | — | |
| SCHEMBL4057572 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL29195521 | 0.94 | — | — | |
| SCHEMBL30534895 | 0.94 | — | — | |
| Pyridine SCHEMBL29035748 | 0.84 | NAPRT (0.44) | — | |
| SCHEMBL28297809 | 0.84 | NAPRT (0.39) | — | |
| SCHEMBL28028753 | 0.77 | TSHR (0.52) | — | |
| SCHEMBL15624391 | 0.74 | TDP1 (0.44) | — |
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-2009117278-A2 | PROCESSES FOR PREPARING (AMINO-PYRAZOLOPYRIDINYL)METHOXY SUBSTITUTED BIARYL ETHERS | MERCK & CO., INC. (US) | 2009-09-24 | — | — | WO | disclosed |