⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1854724 | 0.71 | — | — | |
| SCHEMBL1662575 | 0.67 | — | — | |
| SCHEMBL634453 | 0.67 | — | — | |
| SCHEMBL19619854 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL10696855 | 0.65 | — | — | |
| SCHEMBL11189873 | 0.64 | NPC1 (0.33) | — | |
| SCHEMBL1199229 | 0.62 | — | — | |
| SCHEMBL19577698 | 0.62 | — | — | |
| SCHEMBL7420813 | 0.61 | HDAC6 (0.39) | — | |
| SCHEMBL1885371 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014018881-A1 | ATX MODULATING AGENTS | BIOGEN IDEC MA INC. (US) | 2014-01-30 | — | — | WO | disclosed |
| US-7943644-B2 | Stabilization of iodine-containing biocides by means of special azole compounds | LANXESS DEUTSCHLAND GMBH (DE) | 2011-05-17 | — | — | US | disclosed |
| US-20090192219-A1 | STABILIZATION OF IODINE-CONTAINING BIOCIDES BY MEANS OF SPECIAL AZOLE COMPOUNDS | LANXESS DEUTSCHLAND GMBH (DE) | 2009-07-30 | — | — | US | disclosed |
| EP-1993362-A1 | STABILIZATION OF IODINE-CONTAINING BIOCIDES BY MEANS OF SPECIAL AZOLE COMPOUNDS | Lanxess Deutschland GmbH & Co.KG (DE) | 2008-11-26 | — | — | EP | disclosed |
| WO-2007101549-A1 | STABILIZATION OF IODINE-CONTAINING BIOCIDES BY MEANS OF SPECIAL AZOLE COMPOUNDS | LANXESS DEUTSCHLAND GMBH (DE) | 2007-09-13 | — | — | WO | disclosed |