⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL664039 | 0.81 | — | — | |
| SCHEMBL2977737 | 0.77 | — | — | |
| SCHEMBL21178127 | 0.73 | — | — | |
| SCHEMBL271229 | 0.73 | — | — | |
| SCHEMBL3495087 | 0.71 | — | — | |
| SCHEMBL6141425 | 0.71 | — | — | |
| SCHEMBL1164528 | 0.71 | — | — | |
| SCHEMBL1954513 | 0.70 | CPT2 (0.50) | — | |
| SCHEMBL229715 | 0.69 | ALDH1A1 (0.35) | — | |
| SCHEMBL19621 | 0.69 | — | — |
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-1828223-A4 | NOVEL BETULIN DERIVATIVES, PREPARATION THEREOF AND USE THEREOF | PANACOS PHARMACEUTICALS INC (US) | 2009-03-11 | — | — | EP | claimed |
| EP-1828223-A2 | NOVEL BETULIN DERIVATIVES, PREPARATION THEREOF AND USE THEREOF | Panacos Pharmaceuticals, Inc. (US) | 2007-09-05 | — | — | EP | claimed |
| US-20060205697-A1 | Novel betulin derivatives, preparation thereof and use thereof | MYREXIS, INC. | 2006-09-14 | — | — | US | claimed |
| WO-2006053255-A2 | NOVEL BETULIN DERIVATIVES, PREPARATION THEREOF AND USE THEREOF | PANACOS PHARMACEUTICALS, INC. (US) | 2006-05-18 | — | — | WO | claimed |
| 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 |
| US-20060205697-A1 | Novel betulin derivatives, preparation thereof and use thereof | MYREXIS, INC. | 2006-09-14 | — | — | US | disclosed |
| WO-2006053255-A2 | NOVEL BETULIN DERIVATIVES, PREPARATION THEREOF AND USE THEREOF | PANACOS PHARMACEUTICALS, INC. (US) | 2006-05-18 | — | — | WO | disclosed |