⚠ 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 | |
|---|---|---|---|---|
| Fumaric Acid SCHEMBL30968182 | 0.65 | TSHR (0.39) | — | |
| Hydrochloric Acid SCHEMBL10925085 | 0.62 | — | — | |
| SCHEMBL10921873 | 0.62 | — | — | |
| SCHEMBL3372716 | 0.61 | — | — | |
| SCHEMBL4777656 | 0.61 | HCAR2 (0.30) | — | |
| SCHEMBL19720137 | 0.60 | — | — | |
| SCHEMBL8697930 | 0.58 | — | — | |
| SCHEMBL514533 | 0.58 | TSHR (0.35) | — | |
| SCHEMBL514534 | 0.58 | TSHR (0.35) | — | |
| SCHEMBL11816743 | 0.58 | TSHR (0.35) | — |
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 |