⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19814031 | 0.89 | — | — | |
| SCHEMBL3420125 | 0.83 | KDM4E (0.32) | — | |
| SCHEMBL7152581 | 0.77 | TSHR (0.31) | — | |
| SCHEMBL2394831 | 0.77 | MGLL (0.32) | — | |
| SCHEMBL12143905 | 0.71 | IRAK4 (0.31) | — | |
| SCHEMBL21645378 | 0.71 | S1PR1 (0.35) | — | |
| SCHEMBL24535919 | 0.70 | IRAK4 (0.31) | — | |
| SCHEMBL8976625 | 0.69 | TSHR (0.34) | — | |
| SCHEMBL3613976 | 0.68 | GAA (0.37) | — | |
| SCHEMBL4446549 | 0.67 | NPSR1 (0.34) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20030064051-A1 | Surface active N-halamine compounds | AUBURN UNIVERSITY | 2003-04-03 | — | — | US | disclosed |
| US-20030044376-A1 | Surface active N-halamine compounds | AUBURN UNIVERSITY | 2003-03-06 | — | — | US | disclosed |
| US-6469177-B1 | CYCLIC N-HALAMINES THAT ARE BIOCIDAL WHEN THEY COME IN CONTACT WITH HALOGEN-SENSITIVE ORGANISMS; ACHIEVED BY COATING THE N-HALAMINE ON A SUBSTRATE | AUBURN UNIVERSITY | 2002-10-22 | — | — | US | disclosed |
| US-6162452-A | Surface active N-halamine compounds | AUBURN UNIVERSITY (US) | 2000-12-19 | — | — | US | disclosed |
| WO-1999029678-A1 | MONOMERIC AND POLYMERIC SURFACE ACTIVE BIOCIDAL N-HALO-OXAZOLIDINONES | AUBURN UNIVERSITY (US) | 1999-06-17 | — | — | WO | disclosed |
| US-5902818-A | N-HALOGENATED, OXAZOLIDINONE MONOMERS HAVING AN ACRYLIC ESTER GROUP AT THE 4-POSITION RELEASE SMALL AMOUNTS FREE HALOGENS; DISINFECTANTS SUCH AS MEDICAL AND DENTAL COATINGS, FABRICS; COST EFFICIENCY, PERFORMANCE | AUBURN UNIVERSITY (US) | 1999-05-11 | — | — | US | disclosed |