⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4703924 | 0.98 | — | — | |
| SCHEMBL3856105 | 0.76 | — | — | |
| SCHEMBL17140372 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL4707137 | 0.74 | — | — | |
| SCHEMBL5865621 | 0.68 | — | — | |
| SCHEMBL18780818 | 0.64 | — | — | |
| SCHEMBL4252875 | 0.61 | — | — | |
| SCHEMBL907941 | 0.60 | — | — | |
| SCHEMBL5468304 | 0.60 | — | — | |
| Hydrochloric Acid SCHEMBL4412661 | 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 |
|---|---|---|---|---|---|---|---|
| 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 | claimed |
| 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 | claimed |