⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9805228 | 0.79 | — | — | |
| SCHEMBL9846069 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL2902104 | 0.72 | — | — | |
| SCHEMBL9719506 | 0.69 | — | — | |
| SCHEMBL9861666 | 0.69 | — | — | |
| SCHEMBL436635 | 0.69 | — | — | |
| SCHEMBL9218495 | 0.69 | ALDH1A1 (0.31) | — | |
| SCHEMBL11214166 | 0.69 | — | — | |
| SCHEMBL7807742 | 0.67 | — | — | |
| SCHEMBL8005758 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090264442-A1 | PYRAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS | LABORATORIOS DEL DR. ESTEVES, S.A. (ES) | 2009-10-22 | — | — | US | disclosed |