⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11162432 | 0.83 | — | — | |
| SCHEMBL4943217 | 0.75 | POLB (0.38) | — | |
| SCHEMBL5029750 | 0.68 | ALDH1A1 (0.35) | — | |
| SCHEMBL7259482 | 0.68 | KMT2A (0.33) | — | |
| SCHEMBL5599723 | 0.66 | XPO1 (0.30) | — | |
| SCHEMBL4603203 | 0.65 | — | — | |
| SCHEMBL5586971 | 0.62 | ELANE (0.44) | — | |
| SCHEMBL4944953 | 0.61 | POLB (0.37) | — | |
| SCHEMBL6385012 | 0.60 | CRBN (0.34) | — | |
| SCHEMBL7765313 | 0.60 | LMNA (0.36) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1530576-B1 | HETEROCYCLIC HALAMINE-SUBSTITUTED SILOXANES FOR USE IN BIOCIDAL COATINGS AND MATERIALS | UNIV AUBURN (US) | 2008-02-13 | — | — | EP | disclosed |
| US-20080003438-A1 | Heterocyclic siloxanes for use in biocidal coatings and materials | AUBURN UNIVERSITY (US) | 2008-01-03 | — | — | US | disclosed |
| US-6969769-B2 | N-halamine siloxanes for use in biocidal coatings and materials | VANSON HALOSOURCE, INC. (US) | 2005-11-29 | — | — | US | disclosed |
| US-20040127667-A1 | N-halamine siloxanes for use in biocidal coatings and materials | AUBURN UNIVERSITY | 2004-07-01 | — | — | US | disclosed |