⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2930861 | 0.78 | — | — | |
| SCHEMBL11894877 | 0.74 | TSHR (0.48) | — | |
| SCHEMBL27730190 | 0.72 | TSHR (0.46) | — | |
| SCHEMBL2730412 | 0.72 | — | — | |
| SCHEMBL12997424 | 0.72 | — | — | |
| SCHEMBL6667055 | 0.70 | — | — | |
| Bromide SCHEMBL394829 | 0.70 | GAA (0.52) | — | |
| SCHEMBL53913 | 0.70 | — | — | |
| SCHEMBL3441102 | 0.70 | MGAM (0.69) | — | |
| Butane SCHEMBL221072 | 0.69 | MGAM (0.58) | — |
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-8207156-B2 | Substituted pyrazoline compounds, their preparation and use as medicaments | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2012-06-26 | — | — | US | disclosed |
| US-20110160181-A1 | SUBSTITUTED PYRAZOLINE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2011-06-30 | — | — | US | disclosed |