⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3795471 | 0.79 | — | — | |
| SCHEMBL11830484 | 0.77 | CNR1 (0.33) | — | |
| SCHEMBL11833779 | 0.75 | POLB (0.37) | — | |
| SCHEMBL2355896 | 0.75 | ALDH1A1 (0.49) | — | |
| SCHEMBL11822945 | 0.74 | PTGS1 (0.39) | — | |
| SCHEMBL2712956 | 0.71 | PGR (0.35) | — | |
| SCHEMBL4561418 | 0.69 | ALDH1A1 (0.39) | — | |
| SCHEMBL2712363 | 0.69 | ALDH1A1 (0.32) | — | |
| SCHEMBL383223 | 0.69 | RGS4 (0.32) | — | |
| SCHEMBL6549504 | 0.69 | POLB (0.32) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-1530576-A2 | HETEROCYCLIC HALAMINE-SUBSTITUTED SILOXANES FOR USE IN BIOCIDAL COATINGS AND MATERIALS | Auburn University (US) | 2005-05-18 | — | — | EP | disclosed |
| US-20040127667-A1 | N-halamine siloxanes for use in biocidal coatings and materials | AUBURN UNIVERSITY | 2004-07-01 | — | — | US | disclosed |
| WO-2003106466-A2 | N-HALAMINE SILOXANES FOR USE IN BIOCIDAL COATINGS AND MATERIALS | AUBURN UNIVERSITY (US) | 2003-12-24 | — | — | WO | disclosed |