⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3197993 | 0.74 | — | — | |
| SCHEMBL14533655 | 0.71 | — | — | |
| SCHEMBL9603338 | 0.67 | — | — | |
| SCHEMBL7004418 | 0.67 | — | — | |
| SCHEMBL9603488 | 0.66 | — | — | |
| SCHEMBL6631227 | 0.66 | — | — | |
| SCHEMBL1547690 | 0.66 | — | — | |
| SCHEMBL6633907 | 0.66 | — | — | |
| SCHEMBL4254585 | 0.62 | FUCA1 (0.34) | — | |
| SCHEMBL4265687 | 0.62 | FUCA1 (0.34) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160045490-A1 | USE OF CHEMOTHERAPEUTIC AGENTS | BAYER INNOVATION GMBH (DE) | 2016-02-18 | — | — | US | disclosed |
| US-8975275-B2 | Use of chemotherapeutic agents | BAYER INNOVATION GMBH (DE) | 2015-03-10 | — | — | US | disclosed |
| US-20140287028-A1 | Use of Chemotherapeutic Agents | BAYER INNOVATION GMBH (DE) | 2014-09-25 | — | — | US | disclosed |
| US-20100330165-A1 | USE OF CHEMOTHERAPEUTIC AGENTS | BAYER INNOVATION GMBH (DE) | 2010-12-30 | — | — | US | disclosed |
| US-20070197501-A1 | Use Of Chemotherapeutic Agents | BAYER INNOVATION GMBH (DE) | 2007-08-23 | — | — | US | disclosed |
| EP-1408034-B1 | Use of Quinolone and Quinolizinone derivatives as chemotherapeutic agents | SCHULZ & SCHLIMBACH GBR (DE) | 2007-08-08 | — | — | EP | disclosed |
| EP-1408034-A1 | Use of Quinoline derivatives as antibacterial agents | Schulz & Schlimbach GbR (DE) | 2004-04-14 | — | — | EP | disclosed |
| EP-1244434-B1 | USE OF CHEMOTHERAPEUTIC AGENTS | SCHULZ & SCHLIMBACH GBR (DE) | 2004-03-17 | — | — | EP | disclosed |
| US-20030045544-A1 | Bactericides for the oral region of animals using 3-carboxy-4-oxo quinoline or 1,8-naphthyridine derivatives or 1-cyclopropyl-3-carboyx-4-oxo quinolizine derivatives | BAYER INNOVATION GMBH (DE) | 2003-03-06 | — | — | US | disclosed |