⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5669443 | 0.87 | ALDH1A1 (0.30) | — | |
| SCHEMBL1394753 | 0.80 | — | — | |
| SCHEMBL18394556 | 0.76 | ALDH1A1 (0.38) | — | |
| SCHEMBL12530121 | 0.75 | MAPT (0.33) | — | |
| SCHEMBL11896924 | 0.75 | MAPT (0.33) | — | |
| SCHEMBL812061 | 0.75 | MAPT (0.33) | — | |
| SCHEMBL8434138 | 0.73 | CYP3A4 (0.35) | — | |
| SCHEMBL3281207 | 0.73 | CYP3A4 (0.35) | — | |
| SCHEMBL15483710 | 0.73 | CYP3A4 (0.35) | — | |
| SCHEMBL13090500 | 0.73 | NPSR1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20120132104-A1 | DENTAL MATERIALS CONTAINING ANTIMICROBIAL AGENTS, PARTICULARLY FOR THE PREVENTION OF PLAQUE DEPOSITS | HERAEUS KULZER GMBH (DE) | 2012-05-31 | — | — | US | disclosed |