⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24234103 | 0.90 | KDM4E (0.31) | — | |
| SCHEMBL15727045 | 0.89 | — | — | |
| SCHEMBL6008497 | 0.84 | DRD2 (0.36) | — | |
| SCHEMBL928299 | 0.83 | SLC6A2 (0.33) | — | |
| SCHEMBL13822511 | 0.74 | — | — | |
| SCHEMBL5910690 | 0.69 | ALDH1A1 (0.30) | — | |
| SCHEMBL21478037 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL9129619 | 0.67 | SLC6A2 (0.34) | — | |
| SCHEMBL1487937 | 0.67 | — | — | |
| SCHEMBL5911214 | 0.67 | ALDH1A1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2524934-A2 | Thermoplastic polyurethane urea with biocidal properties and methods for producing same | GT Elektrotechnische Produkte GmbH (DE) | 2012-11-21 | — | — | EP | disclosed |