⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL313587 | 0.81 | GSR (0.40) | — | |
| SCHEMBL314304 | 0.77 | SLC7A5 (0.31) | — | |
| SCHEMBL2535453 | 0.73 | — | — | |
| SCHEMBL7930722 | 0.73 | — | — | |
| SCHEMBL28740043 | 0.73 | — | — | |
| SCHEMBL28267678 | 0.72 | HDAC3 (0.32) | — | |
| SCHEMBL28170502 | 0.70 | KDM4E (0.36) | — | |
| SCHEMBL8656142 | 0.70 | — | — | |
| SCHEMBL393157 | 0.69 | ESR1 (0.33) | — | |
| SCHEMBL27729063 | 0.68 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8729060-B2 | Macrocyclic polyoxazole compounds and use thereof | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2014-05-20 | — | — | US | disclosed |
| US-8518928-B2 | Therapeutic compounds | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2013-08-27 | — | — | US | disclosed |
| US-20120071527-A1 | THERAPEUTIC COMPOUNDS | UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) | 2012-03-22 | — | — | US | disclosed |
| US-8093235-B2 | Macrocyclic compounds which stabilize G-Quadruplex DNA and RNA | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2012-01-10 | — | — | US | disclosed |
| US-20110230531-A1 | THERAPEUTIC COMPOUNDS | NIH - DEITR | 2011-09-22 | — | — | US | disclosed |
| EP-2183256-A1 | THERAPEUTIC COMPOUNDS | Rutgers, The State University of New Jersey (US) | 2010-05-12 | — | — | EP | disclosed |
| EP-2079704-A2 | THERAPEUTIC COMPOUNDS | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2009-07-22 | — | — | EP | disclosed |
| US-20090156627-A1 | THERAPEUTIC COMPOUNDS | NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR | 2009-06-18 | — | — | US | disclosed |
| WO-2009018549-A1 | THERAPEUTIC COMPOUNDS | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2009-02-05 | — | — | WO | disclosed |
| WO-2007127173-A2 | THERAPEUTIC COMPOUNDS | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2007-11-08 | — | — | WO | disclosed |