⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31590130 | 0.90 | AKT2 (0.54) | — | |
| SCHEMBL30557158 | 0.90 | AKT2 (0.54) | — | |
| SCHEMBL3740850 | 0.88 | AKT2 (0.70) | — | |
| Hydrochloric Acid SCHEMBL28973063 | 0.85 | AKT2 (0.67) | — | |
| SCHEMBL23292140 | 0.80 | FDPS (0.47) | — | |
| SCHEMBL29464728 | 0.80 | FDPS (0.47) | — | |
| SCHEMBL320681 | 0.80 | CYP2A6 (0.46) | — | |
| SCHEMBL16432987 | 0.80 | AKT2 (0.76) | — | |
| SCHEMBL29533228 | 0.80 | AKT2 (0.61) | — | |
| SCHEMBL15689115 | 0.80 | AKT2 (0.76) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2026103730-A1 | DIAZAHETEROCYCLIC DERIVATIVE OF PYRIDOARYL GROUP HAVING KAPPA RECEPTOR ANTAGONISTIC ACTIVITY AND COMPOSITION THEREOF, AND USE | 江苏恩华药业股份有限公司 | 2026-05-21 | — | — | WO | disclosed |
| EP-1539168-A2 | TREATMENT OF NEUROPATHIC PAIN WITH 6H-PYRROLO(3,4-D)PYRIDAZINE COMPOUNDS | Merck & Co., Inc. (US) | 2005-06-15 | — | — | EP | disclosed |
| WO-2004006836-A2 | TREATMENT OF NEUROPATHIC PAIN WITH 6H-PYRROLO[3,4-D]PYRIDAZINE COMPOUNDS | MERCK & CO., INC. (US) | 2004-01-22 | — | — | WO | disclosed |