⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2889655 | 0.78 | — | — | |
| SCHEMBL23829897 | 0.78 | — | — | |
| SCHEMBL21617020 | 0.73 | — | — | |
| SCHEMBL9397043 | 0.67 | — | — | |
| SCHEMBL21273830 | 0.67 | — | — | |
| SCHEMBL19504229 | 0.67 | — | — | |
| SCHEMBL23287245 | 0.67 | — | — | |
| SCHEMBL1752414 | 0.67 | — | — | |
| SCHEMBL24931632 | 0.66 | — | — | |
| SCHEMBL9636022 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1102767-B1 | SUBSTITUTED PYRAZOLE DERIVATIVES | BAYER HEALTHCARE AG (DE) | 2005-11-02 | — | — | EP | disclosed |
| US-6833364-B1 | Inhibiting degradation of cyclic guanosine monophosphate; cardiovascular disorders; such as 3-(4-amino-5-cyclopropyl-pyrimidin-2-yl)-1-(2-fluorobenzyl)1H-pyrazolo-(3,4 -b)-pyridine | BAYER HEALTHCARE AG (DE) | 2004-12-21 | — | — | US | disclosed |
| EP-1102767-A1 | SUBSTITUTED PYRAZOLE DERIVATIVES | Bayer Aktiengesellschaft (DE) | 2001-05-30 | — | — | EP | disclosed |
| WO-2000006568-A1 | SUBSTITUTED PYRAZOLE DERIVATIVES | BAYER AKTIENGESELLSCHAFT (DE) | 2000-02-10 | — | — | WO | disclosed |