⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13569736 | 0.81 | — | — | |
| SCHEMBL13717137 | 0.78 | — | — | |
| SCHEMBL19456028 | 0.78 | — | — | |
| SCHEMBL14632167 | 0.76 | — | — | |
| SCHEMBL13569722 | 0.76 | HIF1A (0.32) | — | |
| SCHEMBL21552452 | 0.76 | TAAR1 (0.32) | — | |
| SCHEMBL31195460 | 0.76 | LMNA (0.33) | — | |
| SCHEMBL13844630 | 0.76 | TAAR1 (0.32) | — | |
| SCHEMBL1054460 | 0.75 | — | — | |
| SCHEMBL18820932 | 0.75 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080269245-A1 | Dioxanes and uses thereof | PRESIDENT AND FELLOWS OF HARVARD COLLEGE | 2008-10-30 | — | — | US | disclosed |
| EP-0250122-A2 | Production of cells | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1987-12-23 | — | — | EP | disclosed |