⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8957407 | 0.95 | — | — | |
| SCHEMBL15345987 | 0.70 | — | — | |
| SCHEMBL2078012 | 0.68 | — | — | |
| SCHEMBL2912120 | 0.65 | — | — | |
| SCHEMBL10623493 | 0.65 | — | — | |
| SCHEMBL4339279 | 0.65 | — | — | |
| SCHEMBL2911049 | 0.65 | — | — | |
| SCHEMBL15345964 | 0.65 | — | — | |
| SCHEMBL11245 | 0.64 | CHRM2 (0.36) | — | |
| SCHEMBL14217338 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5773530-A | USEFUL AS PSYCHOSTIMULANTS, ANTIHYPERTENSIVE AGENTS AND REMEDIES FOR RENAL FAILURE, DIURETICS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1998-06-30 | — | — | US | disclosed |
| EP-0737193-A1 | PYRAZOLOPYRIDINE ADENOSINE ANTAGONISTS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1996-10-16 | — | — | EP | disclosed |
| WO-1995018128-A1 | PYRAZOLOPYRIDINE ADENOSINE ANTAGONISTS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1995-07-06 | — | — | WO | disclosed |