⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30043153 | 0.65 | — | — | |
| SCHEMBL29416661 | 0.65 | — | — | |
| SCHEMBL4720932 | 0.63 | — | — | |
| SCHEMBL4722767 | 0.63 | — | — | |
| SCHEMBL3372716 | 0.62 | — | — | |
| SCHEMBL213430 | 0.62 | — | — | |
| SCHEMBL761804 | 0.62 | — | — | |
| SCHEMBL19720137 | 0.61 | — | — | |
| Hydrogen Sulfide SCHEMBL28746193 | 0.61 | — | — | |
| SCHEMBL3092764 | 0.61 | — | — |
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-20100324091-A1 | Pyrazolone Derivative | KOWA COMPANY, LTD. (JP) | 2010-12-23 | — | — | US | disclosed |
| EP-2172458-A1 | PYRAZOLONE DERIVATIVE | Kowa Company, Ltd. (JP) | 2010-04-07 | — | — | EP | disclosed |