⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4591960 | 0.74 | MEN1 (0.34) | — | |
| SCHEMBL4592325 | 0.72 | CHRM2 (0.33) | — | |
| SCHEMBL4592348 | 0.67 | CHRM2 (0.33) | — | |
| SCHEMBL4592055 | 0.66 | CHRM2 (0.36) | — | |
| SCHEMBL37882 | 0.61 | — | — | |
| SCHEMBL3634817 | 0.60 | GAA (0.46) | — | |
| SCHEMBL15388364 | 0.56 | — | — | |
| SCHEMBL28125702 | 0.56 | — | — | |
| SCHEMBL21170257 | 0.55 | — | — | |
| SCHEMBL1869916 | 0.55 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1828223-A4 | NOVEL BETULIN DERIVATIVES, PREPARATION THEREOF AND USE THEREOF | PANACOS PHARMACEUTICALS INC (US) | 2009-03-11 | — | — | EP | disclosed |
| EP-1828223-A2 | NOVEL BETULIN DERIVATIVES, PREPARATION THEREOF AND USE THEREOF | Panacos Pharmaceuticals, Inc. (US) | 2007-09-05 | — | — | EP | disclosed |
| WO-2006053255-A2 | NOVEL BETULIN DERIVATIVES, PREPARATION THEREOF AND USE THEREOF | PANACOS PHARMACEUTICALS, INC. (US) | 2006-05-18 | — | — | WO | disclosed |