⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2869532 | 1.00 | — | — | |
| SCHEMBL2873469 | 1.00 | — | — | |
| SCHEMBL2878546 | 1.00 | — | — | |
| SCHEMBL2873977 | 1.00 | — | — | |
| SCHEMBL2875638 | 1.00 | — | — | |
| SCHEMBL2873530 | 0.98 | — | — | |
| SCHEMBL29941332 | 0.98 | — | — | |
| SCHEMBL2873181 | 0.94 | TTR (0.64) | — | |
| SCHEMBL6723851 | 0.88 | — | — | |
| SCHEMBL6719342 | 0.88 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20140243401-A1 | METHODS OF SCREENING COMPOUNDS THAT ARE CYTOTOXIC TO TUMOR CELLS AND METHODS OF TREATING TUMOR CELLS USING SUCH COMPOUND | THE JOHNS HOPKINS UNIVERSITY (US) | 2014-08-28 | — | — | US | disclosed |
| EP-2655706-A2 | METHODS OF SCREENING COMPOUNDS THAT ARE CYTOTOXIC TO TUMOR CELLS AND METHODS OF TREATING TUMOR CELLS USING SUCH COMPOUND | Ronnett, Gabrielle (US) | 2013-10-30 | — | — | EP | disclosed |
| WO-2012071562-A2 | METHODS OF SCREENING COMPOUNDS THAT ARE CYTOTOXIC TO TUMOR CELLS AND METHODS OF TREATING TUMOR CELLS USING SUCH COMPOUND | RONNETT GABRIELLE (US) | 2012-05-31 | — | — | WO | disclosed |
| US-7687547-B2 | Diphenyl ether antimicrobial compounds | RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) | 2010-03-30 | — | — | US | disclosed |
| US-20060041025-A1 | 5-Alkyl (4-26 carbon atoms)-2-phenoxyphenols; enoyl reductase enzyme inhibitor; drug resistance; side-effect reduction; nicrobiocides; carriers | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2006-02-23 | — | — | US | disclosed |