⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9820688 | 0.52 | — | — | |
| SCHEMBL6814518 | 0.51 | PLG (0.44) | — | |
| SCHEMBL402037 | 0.48 | — | — | |
| SCHEMBL1513646 | 0.48 | — | — | |
| SCHEMBL9593160 | 0.47 | — | — | |
| SCHEMBL18866530 | 0.46 | — | — | |
| SCHEMBL28030730 | 0.46 | CASP1 (0.46) | — | |
| SCHEMBL16437207 | 0.45 | — | — | |
| SCHEMBL235988 | 0.45 | — | — | |
| SCHEMBL9255147 | 0.45 | — | — |
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-2009131654-A2 | INHIBITION AND DISPERSION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-TRIAZOLE DERIVATIVES | NORTH CAROLINA STATE UNIVERSITY (US) | 2009-10-29 | — | — | WO | disclosed |