⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27610559 | 1.00 | — | — | |
| SCHEMBL4663999 | 0.75 | — | — | |
| SCHEMBL386401 | 0.75 | — | — | |
| SCHEMBL6118701 | 0.75 | — | — | |
| SCHEMBL386400 | 0.75 | — | — | |
| SCHEMBL27629595 | 0.74 | — | — | |
| SCHEMBL26121374 | 0.72 | TSHR (0.41) | — | |
| SCHEMBL14855802 | 0.72 | — | — | |
| SCHEMBL8135519 | 0.71 | — | — | |
| SCHEMBL3899481 | 0.71 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0284174-A1 | Therapeutic preparations | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-09-28 | — | — | EP | claimed |
| CN-102516221-A | Dibenzyl-macrolide compound based on photoreaction and synthesis method thereof | NANJING UNIVERSITY OF TECHNOLOGY | 2012-06-27 | — | — | CN | disclosed |
| US-5001237-A | 2-substituted alkoxy-3-substituted-pyrazines | TOYO JOZO KABUSHIKI KAISHA (JP) | 1991-03-19 | — | — | US | disclosed |
| US-4894453-A | ANTICOAGULANTS, CARDIOVASCULAR DISORDERS | TOYO JOZO KABUSHIKI KAISHA (JP) | 1990-01-16 | — | — | US | disclosed |