⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL873801 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL18189712 | 0.70 | ALDH1A1 (0.31) | — | |
| SCHEMBL8572483 | 0.70 | — | — | |
| SCHEMBL28291388 | 0.70 | — | — | |
| SCHEMBL27340 | 0.70 | — | — | |
| SCHEMBL7856027 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL8686366 | 0.70 | — | — | |
| SCHEMBL852065 | 0.67 | — | — | |
| SCHEMBL3725238 | 0.67 | — | — | |
| SCHEMBL3724481 | 0.67 | — | — |
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-8309554-B2 | Hypoxia activated drugs of nitrogen mustard alkylators | THRESHOLD PHARMACEUTICALS (US) | 2012-11-13 | — | — | US | disclosed |
| US-20110190310-A1 | Hypoxia Activated Drugs Of Nitrogen Mustard Alkylators | THRESHOLD PHARMACEUTICALS, INC. | 2011-08-04 | — | — | US | disclosed |
| WO-2009140553-A2 | HYPOXIA ACTIVATED DRUGS OF NITROGEN MUSTARD ALKYLATORS | THRESHOLD PHARMACEUTICALS, INC. (US) | 2009-11-19 | — | — | WO | disclosed |
| US-4727151-A | CLEAVED TO DRUGS IN VIVO BY CHEMICAL OR ENZYMATIC HYDROLYSIS | INTERX RESEARCH CORPORATION (US) | 1988-02-23 | — | — | US | disclosed |
| EP-0169410-A1 | Carbapenems having a 2-quaternary pyridine altylthio or pyridine alkenylthio substituent, compositions containing the same and combinations with DHP inhibitors | MERCK & CO. INC. (US) | 1986-01-29 | — | — | EP | disclosed |
| US-4160099-A | Labile, non-heterocyclic quaternary ammonium salt/esters as transient derivatives | INTERX RESEARCH CORPORATION | 1979-07-03 | — | — | US | disclosed |