⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3115530 | 0.85 | — | — | |
| SCHEMBL5757979 | 0.72 | — | — | |
| SCHEMBL15031 | 0.72 | CALM1 (0.32) | — | |
| SCHEMBL232998 | 0.72 | NR1H2 (0.46) | — | |
| SCHEMBL5173931 | 0.71 | NR1H2 (0.44) | — | |
| SCHEMBL9978690 | 0.71 | NR1H2 (0.44) | — | |
| SCHEMBL8016611 | 0.70 | — | — | |
| SCHEMBL6883742 | 0.69 | — | — | |
| SCHEMBL1853363 | 0.69 | — | — | |
| SCHEMBL2035642 | 0.69 | TAAR1 (0.56) | — |
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-9701638-B2 | Therapeutic hydroxyquinolones | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2017-07-11 | — | — | US | claimed |
| US-20150291531-A1 | THERAPEUTIC HYDROXYQUINOLONES | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2015-10-15 | — | — | US | claimed |
| WO-2014074926-A1 | THERAPEUTIC HYDROXYQUINOLONES | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2014-05-15 | — | — | WO | claimed |
| EP-1194417-A1 | PHENOXY FLUOROPYRIMIDINES | BAYER AG (DE) | 2002-04-10 | — | — | EP | claimed |
| WO-2000078733-A1 | PHENOXY FLUOROPYRIMIDINES | BAYER AKTIENGESELLSCHAFT (DE) | 2000-12-28 | — | — | WO | claimed |
| US-9701638-B2 | Therapeutic hydroxyquinolones | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2017-07-11 | — | — | US | disclosed |
| US-20150291531-A1 | THERAPEUTIC HYDROXYQUINOLONES | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2015-10-15 | — | — | US | disclosed |
| WO-2014074926-A1 | THERAPEUTIC HYDROXYQUINOLONES | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2014-05-15 | — | — | WO | disclosed |
| EP-1194417-A1 | PHENOXY FLUOROPYRIMIDINES | BAYER AG (DE) | 2002-04-10 | — | — | EP | disclosed |
| WO-2000078733-A1 | PHENOXY FLUOROPYRIMIDINES | BAYER AKTIENGESELLSCHAFT (DE) | 2000-12-28 | — | — | WO | disclosed |