⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11745018 | 0.77 | MAPT (0.34) | — | |
| SCHEMBL837166 | 0.74 | — | — | |
| SCHEMBL22659278 | 0.74 | — | — | |
| SCHEMBL10400454 | 0.74 | MAPT (0.41) | — | |
| SCHEMBL16464087 | 0.71 | HTR2B (0.39) | — | |
| SCHEMBL13310546 | 0.69 | RAB9A (0.62) | — | |
| SCHEMBL13680613 | 0.69 | RAB9A (0.59) | — | |
| SCHEMBL829974 | 0.67 | MGAM (0.51) | — | |
| SCHEMBL3711601 | 0.66 | ALDH1A1 (0.41) | — | |
| SCHEMBL9127703 | 0.65 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2643312-B1 | MICROBICIDAL HETEROCYCLES | SYNGENTA PARTICIPATIONS AG (CH) | 2014-09-10 | — | — | EP | disclosed |
| US-8748431-B2 | Microbicidal heterocycles | SYNGENTA PARTICIPATIONS AG (CH) | 2014-06-10 | — | — | US | disclosed |
| US-8748431-B2 | Microbicidal heterocycles | SYNGENTA PARTICIPATIONS AG (CH) | 2014-06-10 | — | — | US | disclosed |
| US-8653141-B2 | HIV protease inhibiting compounds | ABBVIE INC. (US) | 2014-02-18 | — | — | US | disclosed |
| US-20130023463-A1 | HIV PROTEASE INHIBITING COMPOUNDS | ABBOTT LABORATORIES (US) | 2013-01-24 | — | — | US | disclosed |
| US-8193227-B2 | HIV protease inhibiting compounds | ABBOTT LABORATORIES (US) | 2012-06-05 | — | — | US | disclosed |
| WO-2012069633-A1 | MICROBICIDAL HETEROCYCLES | SYNGENTA PARTICIPATIONS AG (CH) | 2012-05-31 | — | — | WO | disclosed |
| US-20110003827-A1 | HIV protease inhibiting compounds | ABBVIE INC. | 2011-01-06 | — | — | US | disclosed |