⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1935264 | 0.67 | — | — | |
| SCHEMBL4428965 | 0.57 | — | — | |
| SCHEMBL3840139 | 0.57 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL1936583 | 0.56 | — | — | |
| SCHEMBL1936577 | 0.56 | — | — | |
| SCHEMBL14446955 | 0.55 | — | — | |
| SCHEMBL992414 | 0.54 | — | — | |
| SCHEMBL10453570 | 0.53 | CYP1A2 (0.32) | — | |
| SCHEMBL10843141 | 0.53 | — | — | |
| SCHEMBL2692984 | 0.52 | KDM4E (0.31) | — |
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-4851406-A | CARDIOVASCULAR DISORDERS, HYPOTENSIVE | BOEHRINGER MANNHEIM GMBH (DE) | 1989-07-25 | — | — | US | disclosed |