⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23270238 | 0.93 | NPC1 (0.41) | — | |
| SCHEMBL27599955 | 0.91 | NPC1 (0.44) | — | |
| SCHEMBL10749421 | 0.87 | — | — | |
| SCHEMBL23270243 | 0.87 | NPC1 (0.39) | — | |
| SCHEMBL1400901 | 0.78 | — | — | |
| SCHEMBL29956487 | 0.78 | NPC1 (0.43) | — | |
| SCHEMBL19172102 | 0.78 | — | — | |
| SCHEMBL29951010 | 0.76 | NPC1 (0.47) | — | |
| SCHEMBL386138 | 0.76 | NPC1 (0.47) | — | |
| SCHEMBL6545092 | 0.75 | HIF1A (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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8367702-B2 | Quinolone derivative | ASTELLAS PHARMA INC. (JP) | 2013-02-05 | — | — | US | disclosed |
| US-8367702-B2 | Quinolone derivative | ASTELLAS PHARMA INC. (JP) | 2013-02-05 | — | — | US | disclosed |
| US-8367702-B2 | Quinolone derivative | ASTELLAS PHARMA INC. (JP) | 2013-02-05 | — | — | US | disclosed |
| US-20100256113-A1 | QUINOLONE DERIVATIVE | ASTELLAS PHARMA INC. (JP) | 2010-10-07 | — | — | US | disclosed |
| US-20100256113-A1 | QUINOLONE DERIVATIVE | ASTELLAS PHARMA INC. (JP) | 2010-10-07 | — | — | US | disclosed |
| US-20100256113-A1 | QUINOLONE DERIVATIVE | ASTELLAS PHARMA INC. (JP) | 2010-10-07 | — | — | US | disclosed |
| EP-2194044-A1 | QUINOLONE DERIVATIVE | Astellas Pharma Inc. (JP) | 2010-06-09 | — | — | EP | disclosed |
| EP-2194044-A1 | QUINOLONE DERIVATIVE | Astellas Pharma Inc. (JP) | 2010-06-09 | — | — | EP | disclosed |