⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10679234 | 0.87 | — | — | |
| SCHEMBL681065 | 0.76 | — | — | |
| SCHEMBL6489254 | 0.76 | — | — | |
| SCHEMBL11265137 | 0.72 | NAAA (0.30) | — | |
| SCHEMBL2599 | 0.67 | — | — | |
| SCHEMBL7052753 | 0.67 | — | — | |
| SCHEMBL2952011 | 0.64 | — | — | |
| SCHEMBL5426881 | 0.62 | — | — | |
| SCHEMBL577753 | 0.62 | TSHR (0.53) | — | |
| SCHEMBL304992 | 0.62 | TSHR (0.53) | — |
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-5175157-A | Cardiovascular disorders | BOEHRINGER INGELHEIM GMBH (DE) | 1992-12-29 | — | — | US | disclosed |