⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19851970 | 0.72 | SLC1A3 (0.34) | — | |
| SCHEMBL14701571 | 0.72 | SLC1A3 (0.34) | — | |
| SCHEMBL19852089 | 0.72 | SLC1A3 (0.34) | — | |
| SCHEMBL14701645 | 0.69 | MEN1 (0.33) | — | |
| SCHEMBL14701647 | 0.65 | MMP2 (0.33) | — | |
| SCHEMBL14701569 | 0.64 | MMP1 (0.36) | — | |
| SCHEMBL14701568 | 0.64 | MMP1 (0.36) | — | |
| SCHEMBL14701646 | 0.63 | PGD (0.33) | — | |
| SCHEMBL19851978 | 0.61 | — | — | |
| SCHEMBL12120675 | 0.61 | — | — |
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-2013023003-A1 | BIOACTIVE AMPHIPHILIC POLYMER STABILIZED NANOPARTICLES WITH ENHANCED STABILITY AND ACTIVITY | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2013-02-14 | — | — | WO | disclosed |