⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4704460 | 0.69 | — | — | |
| SCHEMBL4668648 | 0.68 | NPC1 (0.32) | — | |
| SCHEMBL14791565 | 0.59 | — | — | |
| SCHEMBL7854284 | 0.56 | — | — | |
| Urea SCHEMBL7021643 | 0.54 | BRD4 (0.35) | — | |
| Acetamide SCHEMBL4743096 | 0.54 | CYP1A2 (0.60) | — | |
| Carbamic Acid SCHEMBL29922252 | 0.54 | CYP1A2 (0.52) | — | |
| SCHEMBL353610 | 0.52 | — | — | |
| SCHEMBL11755833 | 0.52 | ALDH1A1 (0.36) | — | |
| Acetamide SCHEMBL6616677 | 0.50 | LMNA (0.57) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1917247-A1 | 4,5-DIHYDR0-1H-PYRAZOLE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS | Laboratorios del Dr. Esteve S.A. (ES) | 2008-05-07 | — | — | EP | disclosed |
| WO-2007009689-A1 | 4,5-DIHYDR0-1H-PYRAZOLE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS | LABORATORIOS DEL DR.ESTEVE, S.A. (ES) | 2007-01-25 | — | — | WO | disclosed |