⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12299147 | 0.66 | TERT (0.33) | — | |
| Hydrochloric Acid SCHEMBL21879627 | 0.62 | DRD2 (0.53) | — | |
| SCHEMBL1158490 | 0.57 | NOTUM (0.47) | — | |
| SCHEMBL1106588 | 0.57 | LMNA (0.39) | — | |
| SCHEMBL4275027 | 0.56 | HSD17B10 (0.51) | — | |
| SCHEMBL11642510 | 0.53 | — | — | |
| SCHEMBL14672189 | 0.53 | LMNA (0.34) | — | |
| SCHEMBL23241472 | 0.52 | — | — | |
| SCHEMBL12641736 | 0.52 | — | — | |
| SCHEMBL2359557 | 0.52 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8729060-B2 | Macrocyclic polyoxazole compounds and use thereof | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2014-05-20 | — | — | US | disclosed |
| US-8729060-B2 | Macrocyclic polyoxazole compounds and use thereof | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2014-05-20 | — | — | US | disclosed |
| US-20110230531-A1 | THERAPEUTIC COMPOUNDS | NIH - DEITR | 2011-09-22 | — | — | US | disclosed |