⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1905671 | 0.95 | — | — | |
| Pyrazine SCHEMBL17100555 | 0.90 | TSHR (0.30) | — | |
| SCHEMBL16179230 | 0.87 | — | — | |
| SCHEMBL1685846 | 0.86 | — | — | |
| Pyridine SCHEMBL28084835 | 0.85 | TSHR (0.35) | — | |
| Pyridazine SCHEMBL28033129 | 0.83 | TSHR (0.33) | — | |
| SCHEMBL28591258 | 0.83 | — | — | |
| SCHEMBL5875298 | 0.83 | — | — | |
| Pyridazine SCHEMBL16179268 | 0.81 | TSHR (0.42) | — | |
| Pyridazine SCHEMBL6611065 | 0.80 | TSHR (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109414596-A | ASH1L INHIBITORS AND METHODS OF TREATMENT THEREWITH | 密歇根大学董事会 | 2019-03-01 | — | — | CN | disclosed |
| WO-2014033044-A1 | TRANSITION METAL COMPLEXES COMPRISING SYMMETRIC TETRADENTATE LIGANDAS | SOLVAY SA (BE) | 2014-03-06 | — | — | WO | disclosed |
| WO-2014033050-A1 | TRANSITION METAL COMPLEXES COMPRISING ASYMMETRIC TETRADENTATE LIGANDS | SOLVAY SA (BE) | 2014-03-06 | — | — | WO | disclosed |
| WO-2004043951-A1 | PYRAZOLE DERIVATIVES AS MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS | CAREX S.A. (FR) | 2004-05-27 | — | — | WO | disclosed |