⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3003988 | 0.83 | — | — | |
| SCHEMBL3008477 | 0.73 | — | — | |
| SCHEMBL7708077 | 0.58 | KCNA5 (0.32) | — | |
| SCHEMBL7708081 | 0.58 | KCNA5 (0.32) | — | |
| SCHEMBL7710676 | 0.58 | KCNA5 (0.32) | — | |
| SCHEMBL12964451 | 0.57 | SIGMAR1 (0.59) | — | |
| SCHEMBL4933517 | 0.56 | — | — | |
| SCHEMBL4933520 | 0.56 | — | — | |
| SCHEMBL4933511 | 0.56 | — | — | |
| SCHEMBL5287602 | 0.56 | — | — |
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 2 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 | disclosed |
| US-20100197714-A1 | SPIRO-PYRANO-PYRAZOLE DERIVATIVES | LABORATORIOS DEL. DR. ESTEVE, S.A. (ES) | 2010-08-05 | — | — | US | disclosed |