⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL989757 | 0.73 | — | — | |
| SCHEMBL2218606 | 0.72 | — | — | |
| SCHEMBL3728159 | 0.60 | — | — | |
| SCHEMBL12550550 | 0.59 | — | — | |
| SCHEMBL5684973 | 0.59 | — | — | |
| Bromide SCHEMBL28296934 | 0.57 | — | — | |
| SCHEMBL18332718 | 0.57 | TSHR (0.36) | — | |
| SCHEMBL9130962 | 0.55 | — | — | |
| SCHEMBL449127 | 0.55 | — | — | |
| SCHEMBL3613272 | 0.54 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110166170-A1 | SYNTHESIS OF AVRAINVILLAMIDE, STEPHACIDIN B, AND ANALOGUES THEREOF | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2011-07-07 | — | — | US | disclosed |
| US-7902196-B2 | Synthesis of avrainvillamide, strephacidin B, and analogues thereof | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2011-03-08 | — | — | US | disclosed |
| US-20090143581-A1 | SYNTHESIS OF AVRAINVILLAMIDE, STREPHACIDIN B, AND ANALOGUES THEREOF | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2009-06-04 | — | — | US | disclosed |
| EP-1863800-A2 | SYNTHESIS OF AVRAINVILLAMIDE, STEPHACIDIN B, AND ANALOGUES THEREOF | The President and Fellows of Harvard College (US) | 2007-12-12 | — | — | EP | disclosed |
| WO-2006102097-A2 | SYNTHESIS OF AVRAINVILLAMIDE, STEPHACIDIN B, AND ANALOGUES THEREOF | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2006-09-28 | — | — | WO | disclosed |