⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14302892 | 0.68 | NOS3 (0.30) | — | |
| SCHEMBL7404948 | 0.57 | — | — | |
| SCHEMBL10433884 | 0.56 | — | — | |
| SCHEMBL24134377 | 0.52 | NOS3 (0.41) | — | |
| SCHEMBL21910739 | 0.52 | — | — | |
| SCHEMBL19143753 | 0.51 | — | — | |
| SCHEMBL2724301 | 0.51 | — | — | |
| SCHEMBL16914682 | 0.50 | ALDH1A1 (0.30) | — | |
| SCHEMBL22547795 | 0.49 | — | — | |
| SCHEMBL23468915 | 0.49 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2006110531-A2 | ACYL HOMOSERINE LACTONES FOR INHIBITION OF CELL GROWTH | HEALTH RESEARCH INC. (US) | 2006-10-19 | — | — | WO | disclosed |