⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3009686 | 0.91 | — | — | |
| SCHEMBL3005291 | 0.91 | — | — | |
| SCHEMBL3002656 | 0.89 | — | — | |
| SCHEMBL2997997 | 0.89 | KCNH2 (0.71) | — | |
| SCHEMBL3007816 | 0.88 | — | — | |
| SCHEMBL3010151 | 0.87 | — | — | |
| SCHEMBL3005509 | 0.87 | — | — | |
| SCHEMBL3002969 | 0.86 | — | — | |
| SCHEMBL2993527 | 0.86 | — | — | |
| SCHEMBL3008311 | 0.86 | SIGMAR1 (0.67) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2144915-B1 | SPIRO-PYRANO-PYRAZOLE DERIVATIVES | ESTEVE LABOR DR (ES) | 2014-03-19 | — | — | EP | claimed |
| US-20100197714-A1 | SPIRO-PYRANO-PYRAZOLE DERIVATIVES | LABORATORIOS DEL. DR. ESTEVE, S.A. (ES) | 2010-08-05 | — | — | US | claimed |
| EP-1982987-A1 | Spiro-pyrano-pyrazole derivatives | Laboratorios del Dr. Esteve S.A. (ES) | 2008-10-22 | — | — | EP | claimed |
| EP-2144915-B1 | SPIRO-PYRANO-PYRAZOLE DERIVATIVES | ESTEVE LABOR DR (ES) | 2014-03-19 | — | — | EP | disclosed |
| US-20100197714-A1 | SPIRO-PYRANO-PYRAZOLE DERIVATIVES | LABORATORIOS DEL. DR. ESTEVE, S.A. (ES) | 2010-08-05 | — | — | US | disclosed |
| US-20100197714-A1 | SPIRO-PYRANO-PYRAZOLE DERIVATIVES | LABORATORIOS DEL. DR. ESTEVE, S.A. (ES) | 2010-08-05 | — | — | US | disclosed |
| US-20100197714-A1 | SPIRO-PYRANO-PYRAZOLE DERIVATIVES | LABORATORIOS DEL. DR. ESTEVE, S.A. (ES) | 2010-08-05 | — | — | US | disclosed |
| WO-2008125349-A1 | SPIRO-PYRANO-PYRAZOLE DERIVATIVES | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2008-10-23 | — | — | WO | disclosed |
| EP-1982987-A1 | Spiro-pyrano-pyrazole derivatives | Laboratorios del Dr. Esteve S.A. (ES) | 2008-10-22 | — | — | EP | disclosed |
| EP-1982987-A1 | Spiro-pyrano-pyrazole derivatives | Laboratorios del Dr. Esteve S.A. (ES) | 2008-10-22 | — | — | EP | disclosed |