⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29523536 | 0.83 | — | — | |
| SCHEMBL14764219 | 0.76 | — | — | |
| SCHEMBL1033770 | 0.74 | — | — | |
| SCHEMBL4576502 | 0.74 | — | — | |
| SCHEMBL7095408 | 0.72 | ALDH1A1 (0.32) | — | |
| SCHEMBL16585593 | 0.71 | — | — | |
| SCHEMBL11823555 | 0.71 | — | — | |
| SCHEMBL10565815 | 0.71 | — | — | |
| SCHEMBL27937457 | 0.70 | — | — | |
| SCHEMBL20357486 | 0.70 | — | — |
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-6677606-B1 | GENOME SEQUENCING, FORENSICS, ASSAYS, AND DRUG AFFINITY STUDIES | UNIVERSITY OF CHICAGO | 2004-01-13 | — | — | US | claimed |
| US-20190240347-A1 | METAL OXIDE NANOPARTICLE FOR CELL LYSIS | UNITED STATES DEPARTMENT OF ENERGY | 2019-08-08 | — | — | US | disclosed |
| US-20180036426-A1 | METAL OXIDE NANOPARTICLE FOR CELL LYSIS | UCHICAGO ARGONNE, LLC | 2018-02-08 | — | — | US | disclosed |
| WO-2016161162-A1 | METAL OXIDE NANOPARTICLE FOR CELL LYSIS | UCHICAGO ARGONNE, LLC (US) | 2016-10-06 | — | — | WO | disclosed |