⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL253042 | 0.74 | — | — | |
| SCHEMBL861551 | 0.67 | — | — | |
| SCHEMBL462237 | 0.58 | — | — | |
| Allyl Isothiocyanate SCHEMBL41581 | 0.57 | — | — | |
| Allyl Isothiocyanate SCHEMBL900655 | 0.57 | TRPA1 (1.00) | — | |
| Allyl Isothiocyanate SCHEMBL29036465 | 0.56 | — | — | |
| Allyl Isothiocyanate SCHEMBL9446554 | 0.56 | — | — | |
| Allyl Isothiocyanate SCHEMBL9446558 | 0.56 | — | — | |
| Allyl Isothiocyanate SCHEMBL30306280 | 0.56 | — | — | |
| SCHEMBL170292 | 0.55 | — | — |
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 8 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 |
| 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 |
| US-4577022-A | Silyl compounds | JOHN WYETH & BROTHER, LTD. (GB) | 1986-03-18 | — | — | US | disclosed |
| US-4160094-A | Tetrahydroquinoline derivatives | JOHN WYETH & BROTHER LIMITED (GB) | 1979-07-03 | — | — | US | disclosed |