⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20323285 | 0.94 | — | — | |
| SCHEMBL20274369 | 0.85 | — | — | |
| SCHEMBL12181529 | 0.82 | CYP3A4 (0.32) | — | |
| SCHEMBL21742159 | 0.82 | CYP3A4 (0.32) | — | |
| SCHEMBL14223542 | 0.80 | CYP3A4 (0.35) | — | |
| SCHEMBL13849414 | 0.76 | — | — | |
| SCHEMBL18673964 | 0.73 | — | — | |
| SCHEMBL21088073 | 0.71 | — | — | |
| SCHEMBL19954860 | 0.71 | — | — | |
| SCHEMBL20153366 | 0.71 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9233971-B2 | Lipomacrocycles and uses thereof | AGAVE PHARMA, INCORPORATED | 2016-01-12 | — | — | US | disclosed |
| US-20130156851-A1 | LIPOMACROCYCLES AND USES THEREOF | AGAVE PHARMA, INCORPORATED | 2013-06-20 | — | — | US | disclosed |