⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4433277 | 0.85 | CA12 (0.40) | — | |
| SCHEMBL4432346 | 0.85 | — | — | |
| SCHEMBL4434738 | 0.83 | — | — | |
| SCHEMBL4424879 | 0.83 | ACP3 (0.54) | — | |
| SCHEMBL4423894 | 0.81 | ACP3 (0.46) | — | |
| SCHEMBL4435132 | 0.81 | — | — | |
| SCHEMBL4427951 | 0.77 | — | — | |
| SCHEMBL21616478 | 0.73 | ACP3 (0.56) | — | |
| SCHEMBL4424342 | 0.71 | MAPT (0.41) | — | |
| SCHEMBL7645171 | 0.69 | ALOX5 (0.39) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130065857-A1 | NOVEL DXR INHIBITORS FOR ANTIMICROBIAL THERAPY | BAYLOR COLLEGE OF MEDICINE (US) | 2013-03-14 | — | — | US | disclosed |
| US-20130065857-A1 | NOVEL DXR INHIBITORS FOR ANTIMICROBIAL THERAPY | BAYLOR COLLEGE OF MEDICINE (US) | 2013-03-14 | — | — | US | disclosed |
| US-7638505-B2 | Organophosphoric derivatives useful as anti-parasitic agents | UNIVERSITEIT GENT (BE) | 2009-12-29 | — | — | US | disclosed |
| US-20080312190-A1 | Such as 3-(N-hydroxyacetamido)-1-(3,4-dichlorophenyl)propylphosphonic acid; Antimalaria agents | UNIVERSITEIT GENT (BE) | 2008-12-18 | — | — | US | disclosed |