⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5487669 | 0.75 | — | — | |
| SCHEMBL13770773 | 0.71 | — | — | |
| SCHEMBL27867843 | 0.71 | — | — | |
| SCHEMBL3226778 | 0.71 | — | — | |
| SCHEMBL216603 | 0.69 | — | — | |
| SCHEMBL562701 | 0.69 | KDM1A (0.63) | — | |
| SCHEMBL562702 | 0.69 | KDM1A (0.63) | — | |
| SCHEMBL12082977 | 0.67 | KDM1A (0.60) | — | |
| SCHEMBL363516 | 0.67 | — | — | |
| SCHEMBL12951512 | 0.67 | KDM1A (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102634334-A | Pyrene-dicholesterol-containing fluorescent probe, as well as synthetic method and application thereof | UNIV SHAANXI NORMAL | 2012-08-15 | — | — | CN | disclosed |
| EP-2422780-A1 | Resistance-repellent retroviral protease inhibitors | Sequoia Pharmaceuticals, Inc. (US) | 2012-02-29 | — | — | EP | disclosed |
| EP-2422781-A1 | Resistance-repellent retroviral protease inhibitors | Sequoia Pharmaceuticals, Inc. (US) | 2012-02-29 | — | — | EP | disclosed |