⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7698588 | 0.73 | — | — | |
| SCHEMBL119767 | 0.70 | — | — | |
| SCHEMBL14211565 | 0.70 | — | — | |
| SCHEMBL1079011 | 0.70 | — | — | |
| SCHEMBL3750354 | 0.67 | — | — | |
| SCHEMBL9097573 | 0.67 | — | — | |
| SCHEMBL2139432 | 0.67 | — | — | |
| SCHEMBL8959062 | 0.67 | — | — | |
| SCHEMBL19181889 | 0.67 | — | — | |
| SCHEMBL12800153 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101120012-A | Metabolites of cyclosporin analogs | ISOTECHNIKA INC (CA) | 2008-02-06 | — | — | CN | disclosed |
| EP-1828229-A1 | METABOLITES OF CYCLOSPORIN ANALOGS | ISOTECHNIKA,INC. (CA) | 2007-09-05 | — | — | EP | disclosed |
| US-20060223743-A1 | Metabolites of cyclosporin analogs | ISOTECHNIKA INC. (CA) | 2006-10-05 | — | — | US | disclosed |
| WO-2006063470-A1 | METABOLITES OF CYCLOSPORIN ANALOGS | ISOTECHNIKA INC. (CA) | 2006-06-22 | — | — | WO | disclosed |