⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12424583 | 0.69 | CA1 (0.33) | — | |
| SCHEMBL371433 | 0.60 | CA1 (0.47) | — | |
| SCHEMBL13866443 | 0.60 | — | — | |
| SCHEMBL16744216 | 0.59 | — | — | |
| SCHEMBL16744209 | 0.59 | MEN1 (0.44) | — | |
| SCHEMBL19130837 | 0.59 | LMNA (0.40) | — | |
| SCHEMBL16369410 | 0.59 | EIF4A3 (0.32) | — | |
| SCHEMBL3643757 | 0.58 | MEN1 (0.30) | — | |
| SCHEMBL25019747 | 0.57 | LMNA (0.33) | — | |
| SCHEMBL12856667 | 0.57 | GABRA1 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |