⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10734362 | 0.73 | — | — | |
| SCHEMBL28709043 | 0.67 | — | — | |
| SCHEMBL1680613 | 0.65 | — | — | |
| SCHEMBL1583094 | 0.65 | — | — | |
| SCHEMBL5166828 | 0.65 | — | — | |
| SCHEMBL12085982 | 0.65 | KDM4E (0.34) | — | |
| SCHEMBL17599029 | 0.63 | — | — | |
| SCHEMBL2929707 | 0.63 | — | — | |
| SCHEMBL7109 | 0.60 | — | — | |
| SCHEMBL1894280 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2646043-B1 | NOVEL CYCLOSPORIN DERIVATIVES FOR THE TREATMENT AND PREVENTION OF A VIRAL INFECTION | S&T GLOBAL INC (US) | 2017-02-15 | — | — | EP | claimed |
| EP-1802650-B1 | 3-ETHER AND 3-THIOETHER SUBSTITUTED CYCLOSPORIN DERIVATIVES FOR THE TREATMENT AND PREVENTION OF HEPATITIS C INFECTION | SCYNEXIS INC (US) | 2011-10-26 | — | — | EP | claimed |