⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3883393 | 0.96 | ALDH1A1 (0.32) | — | |
| SCHEMBL9004375 | 0.96 | ALDH1A1 (0.32) | — | |
| SCHEMBL491425 | 0.96 | ALDH1A1 (0.36) | — | |
| SCHEMBL11001515 | 0.92 | ALDH1A1 (0.33) | — | |
| SCHEMBL22033837 | 0.92 | ALDH1A1 (0.33) | — | |
| SCHEMBL1173999 | 0.92 | ALDH1A1 (0.33) | — | |
| SCHEMBL6101790 | 0.92 | ALDH1A1 (0.33) | — | |
| SCHEMBL22033682 | 0.92 | ALDH1A1 (0.33) | — | |
| SCHEMBL10494046 | 0.92 | ALDH1A1 (0.33) | — | |
| SCHEMBL1524657 | 0.92 | ALDH1A1 (0.33) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2882739-B1 | NEW ANTIBACTERIAL COMPOUNDS | JANSSEN SCIENCES IRELAND UC (IE) | 2017-05-03 | — | — | EP | claimed |
| US-9296760-B2 | Antibacterial compounds | JANSSEN SCIENCES IRELAND UC (IE) | 2016-03-29 | — | — | US | claimed |
| US-20150225424-A1 | Antibacterial compounds | JANSSEN SCIENCES IRELAND UC (IE) | 2015-08-13 | — | — | US | claimed |
| EP-2882739-A1 | NEW ANTIBACTERIAL COMPOUNDS | Janssen Sciences Ireland UC (IE) | 2015-06-17 | — | — | EP | claimed |
| WO-2014023815-A1 | NEW ANTIBACTERIAL COMPOUNDS | JANSSEN R&D IRELAND (IE) | 2014-02-13 | — | — | WO | claimed |
| US-7868037-B2 | Methods for treating hepatitis C | PTC THERAPEUTICS, INC. (US) | 2011-01-11 | — | — | US | claimed |
| EP-2882739-B1 | NEW ANTIBACTERIAL COMPOUNDS | JANSSEN SCIENCES IRELAND UC (IE) | 2017-05-03 | — | — | EP | disclosed |
| US-9296760-B2 | Antibacterial compounds | JANSSEN SCIENCES IRELAND UC (IE) | 2016-03-29 | — | — | US | disclosed |
| US-20150225424-A1 | Antibacterial compounds | JANSSEN SCIENCES IRELAND UC (IE) | 2015-08-13 | — | — | US | disclosed |
| EP-2882739-A1 | NEW ANTIBACTERIAL COMPOUNDS | Janssen Sciences Ireland UC (IE) | 2015-06-17 | — | — | EP | disclosed |
| WO-2014023815-A1 | NEW ANTIBACTERIAL COMPOUNDS | JANSSEN R&D IRELAND (IE) | 2014-02-13 | — | — | WO | disclosed |