⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12446855 | 0.87 | ALDH1A1 (0.30) | — | |
| SCHEMBL12663332 | 0.82 | — | — | |
| SCHEMBL20287488 | 0.78 | — | — | |
| SCHEMBL18526480 | 0.78 | — | — | |
| SCHEMBL13116639 | 0.78 | — | — | |
| SCHEMBL19017742 | 0.76 | — | — | |
| SCHEMBL21450942 | 0.75 | — | — | |
| SCHEMBL23919326 | 0.74 | — | — | |
| SCHEMBL19364151 | 0.74 | — | — | |
| SCHEMBL21167227 | 0.74 | — | — |
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-2017210347-A1 | ANTIMICROBIAL COATINGS AND METHODS OF MAKING AND USING THEREOF | GEORGIA TECH RESEARCH CORPORATION (US) | 2017-12-07 | — | — | WO | disclosed |