⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL665989 | 1.00 | — | — | |
| SCHEMBL2921285 | 1.00 | — | — | |
| SCHEMBL1826955 | 0.93 | NOS3 (0.31) | — | |
| SCHEMBL3558036 | 0.82 | — | — | |
| SCHEMBL7511861 | 0.80 | — | — | |
| SCHEMBL665923 | 0.77 | — | — | |
| SCHEMBL667250 | 0.77 | — | — | |
| SCHEMBL4198897 | 0.77 | — | — | |
| SCHEMBL4464921 | 0.77 | SIGMAR1 (0.35) | — | |
| SCHEMBL2916951 | 0.74 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008057420-A2 | EXTENDED TRITERPENE DERIVATIVES | PANACOS PHARMACEUTICALS, INC. (US) | 2008-05-15 | — | — | WO | claimed |
| US-20060205697-A1 | Novel betulin derivatives, preparation thereof and use thereof | MYREXIS, INC. | 2006-09-14 | — | — | US | claimed |
| US-6156752-A | Optically active 1,4-dihydropyridine compounds as bradykinin antagonists | PFIZER INC (US) | 2000-12-05 | — | — | US | claimed |
| EP-0899261-A1 | Optical active 1,4-dihydropyridine compounds as bradykinin antagonists | PFIZER INC. (US) | 1999-03-03 | — | — | EP | claimed |
| US-20170096446-A1 | Extended Triterpene Derivatives | MYREXIS, INC. (US) | 2017-04-06 | — | — | US | disclosed |
| US-9505800-B2 | Extended triterpene derivatives | MYREXIS, INC. (US) | 2016-11-29 | — | — | US | disclosed |
| US-20120046291-A1 | Extended Triterpene Derivatives | MYREXIS, INC. | 2012-02-23 | — | — | US | disclosed |
| WO-2008057420-A2 | EXTENDED TRITERPENE DERIVATIVES | PANACOS PHARMACEUTICALS, INC. (US) | 2008-05-15 | — | — | WO | disclosed |
| US-20060205697-A1 | Novel betulin derivatives, preparation thereof and use thereof | MYREXIS, INC. | 2006-09-14 | — | — | US | disclosed |
| US-6156752-A | Optically active 1,4-dihydropyridine compounds as bradykinin antagonists | PFIZER INC (US) | 2000-12-05 | — | — | US | disclosed |
| EP-0899261-A1 | Optical active 1,4-dihydropyridine compounds as bradykinin antagonists | PFIZER INC. (US) | 1999-03-03 | — | — | EP | disclosed |