⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1273196 | 0.80 | CHRM2 (0.33) | — | |
| SCHEMBL6630936 | 0.73 | — | — | |
| Furan SCHEMBL7495514 | 0.72 | — | — | |
| SCHEMBL20141502 | 0.71 | CHRM2 (0.32) | — | |
| SCHEMBL20141501 | 0.71 | CHRM2 (0.32) | — | |
| SCHEMBL20141503 | 0.71 | CHRM2 (0.32) | — | |
| SCHEMBL1273146 | 0.65 | — | — | |
| SCHEMBL8343290 | 0.64 | CHRM2 (0.37) | — | |
| SCHEMBL1491239 | 0.64 | CHRM2 (0.37) | — | |
| SCHEMBL1491238 | 0.64 | CHRM2 (0.37) | — |
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-1404680-A2 | PROCESS FOR PREPARING INTERMEDIATES OF HIV PROTEASE INHIBITORS | GLAXO GROUP LIMITED (GB) | 2004-04-07 | — | — | EP | disclosed |
| WO-2002067239-A2 | PROCESS FOR PREPARING INTERMEDIATES OF HIV PROTEASE INHIBITORS | GLAXO GROUP LIMITED (GB) | 2002-08-29 | — | — | WO | disclosed |