⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5551230 | 0.74 | — | — | |
| SCHEMBL14246461 | 0.74 | — | — | |
| SCHEMBL280398 | 0.64 | — | — | |
| SCHEMBL8632258 | 0.58 | — | — | |
| SCHEMBL899976 | 0.58 | — | — | |
| SCHEMBL14526300 | 0.56 | — | — | |
| SCHEMBL2267198 | 0.55 | — | — | |
| SCHEMBL10153255 | 0.54 | — | — | |
| SCHEMBL7825990 | 0.54 | CA1 (0.32) | — | |
| SCHEMBL1668401 | 0.54 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5068334-A | Analgesics and antipyretics | KARL THOMAE GMBH (DE) | 1991-11-26 | — | — | US | disclosed |
| EP-0338228-A2 | Use of quinoline-2,5-diones in a medicament having an analgesic, antipyretic and/or antiphlogistic activity | Dr. Karl Thomae GmbH (DE) | 1989-10-25 | — | — | EP | disclosed |