⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31059213 | 0.85 | — | — | |
| SCHEMBL17607671 | 0.78 | — | — | |
| SCHEMBL23612749 | 0.77 | — | — | |
| SCHEMBL12554309 | 0.77 | — | — | |
| SCHEMBL12658040 | 0.77 | CYP2D6 (0.41) | — | |
| SCHEMBL8368986 | 0.75 | — | — | |
| SCHEMBL25703356 | 0.74 | — | — | |
| SCHEMBL18627987 | 0.73 | — | — | |
| SCHEMBL15261904 | 0.72 | HMGCR (0.35) | — | |
| SCHEMBL17051492 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3221314-B1 | SPIRO-ISOQUINOLINE-1,4'-PIPERIDINE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN | ESTEVE PHARMACEUTICALS SA (ES) | 2019-07-03 | — | — | EP | disclosed |