⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7527986 | 0.83 | NUDT1 (0.36) | — | |
| SCHEMBL5228462 | 0.78 | KDM4E (0.34) | — | |
| SCHEMBL6934565 | 0.76 | KDM4E (0.35) | — | |
| SCHEMBL6967173 | 0.73 | KDM4E (0.33) | — | |
| SCHEMBL1801275 | 0.70 | KDM4E (0.35) | — | |
| Hydrochloric Acid SCHEMBL7110990 | 0.70 | GAA (0.33) | — | |
| SCHEMBL27553866 | 0.70 | KDM4E (0.32) | — | |
| SCHEMBL1805254 | 0.69 | GAA (0.36) | — | |
| SCHEMBL33611 | 0.68 | KDM4E (0.37) | — | |
| SCHEMBL6938444 | 0.68 | KDM4E (0.40) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6458823-B1 | 4,5-DIAMINO DERIVATIVES OF (1H)- PYRAZOLES AND THEIR USE IN THE TREATMENT OF DISORDERS ASSOCIATED WITH SMOOTH MUSCLE CONTRACTION, WHICH INCLUDE, URINARY INCONTINENCE, HYPERTENSION, ASTHAMA, PREMATURE LABOR, IRRITABLE BOWL SYNDROM | WYETH | 2002-10-01 | — | — | US | disclosed |
| US-20020032198-A1 | Diaminopyrazoles | AMERICAN HOME PRODUCTS CORPORATION | 2002-03-14 | — | — | US | disclosed |
| US-6319941-B1 | TREATMENT OF SMOOTH MUSCLE SPASTICITY OR EXCESS MUSCLE CONTRACTION SUCH AS URGE URINARY INCONTINENCE | AMERICAN HOME PRODUCTS CORPORATION | 2001-11-20 | — | — | US | disclosed |
| US-6313149-B1 | Diaminopyrazoles | AMERICAN HOME PRODUCTS CORPORATION | 2001-11-06 | — | — | US | disclosed |
| US-6172222-B1 | Diaminopyrazoles | AMERICAN HOME PRODUCTS CORPORATION | 2001-01-09 | — | — | US | disclosed |