⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20600550 | 0.82 | CCR1 (0.31) | — | |
| SCHEMBL5434515 | 0.73 | KDM4E (0.46) | — | |
| SCHEMBL2899971 | 0.72 | TDP1 (0.30) | — | |
| SCHEMBL9322559 | 0.69 | ACHE (0.42) | — | |
| SCHEMBL194247 | 0.68 | KDM4E (0.58) | — | |
| SCHEMBL81622 | 0.63 | — | — | |
| SCHEMBL3834527 | 0.62 | — | — | |
| SCHEMBL24814 | 0.62 | ALDH1A1 (0.62) | — | |
| SCHEMBL22717058 | 0.61 | — | — | |
| SCHEMBL872420 | 0.61 | ALDH1A1 (0.39) | — |
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-2019000236-A1 | 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF M4 MUSCARINIC ACETYLCHOLINE RECEPTOR | MERCK SHARP & DOHME CORP. (US) | 2019-01-03 | — | — | WO | disclosed |