⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3390851 | 0.92 | — | — | |
| SCHEMBL3910388 | 0.89 | — | — | |
| Bromide SCHEMBL2228320 | 0.89 | — | — | |
| SCHEMBL11413582 | 0.84 | — | — | |
| SCHEMBL22573094 | 0.72 | — | — | |
| SCHEMBL3444010 | 0.69 | — | — | |
| SCHEMBL11726051 | 0.69 | — | — | |
| SCHEMBL10905867 | 0.69 | — | — | |
| SCHEMBL11715304 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL10656127 | 0.67 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120232093-A1 | PYRAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2012-09-13 | — | — | US | disclosed |
| US-8202872-B2 | Pyrazole derivatives as sigma receptor inhibitors | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2012-06-19 | — | — | US | disclosed |
| CN-101679235-A | Azetidine derivatives and their use as prostaglandin E2 antagonists | PFIZER LTD | 2010-03-24 | — | — | CN | disclosed |
| US-20090264442-A1 | PYRAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS | LABORATORIOS DEL DR. ESTEVES, S.A. (ES) | 2009-10-22 | — | — | US | disclosed |