⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15520480 | 0.83 | KCNH2 (0.45) | — | |
| SCHEMBL2998726 | 0.82 | — | — | |
| SCHEMBL2998012 | 0.74 | — | — | |
| SCHEMBL3003990 | 0.72 | — | — | |
| SCHEMBL2997994 | 0.70 | SIGMAR1 (0.60) | — | |
| SCHEMBL3001391 | 0.70 | — | — | |
| SCHEMBL3001155 | 0.69 | OPRM1 (0.47) | — | |
| SCHEMBL3003989 | 0.68 | — | — | |
| SCHEMBL3008314 | 0.68 | — | — | |
| SCHEMBL3003988 | 0.68 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100197714-A1 | SPIRO-PYRANO-PYRAZOLE DERIVATIVES | LABORATORIOS DEL. DR. ESTEVE, S.A. (ES) | 2010-08-05 | — | — | US | disclosed |