⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL425242 | 0.67 | — | — | |
| Ammonia Solution, Strong SCHEMBL19859642 | 0.51 | — | — | |
| SCHEMBL715867 | 0.50 | GSK3B (1.00) | — | |
| SCHEMBL33524954 | 0.50 | — | — | |
| SCHEMBL10990 | 0.50 | — | — | |
| SCHEMBL7021498 | 0.50 | — | — | |
| SCHEMBL693917 | 0.50 | GSK3B (1.00) | — | |
| SCHEMBL28083309 | 0.49 | GSK3A (0.73) | — | |
| SCHEMBL9862604 | 0.48 | GSK3A (0.92) | — | |
| SCHEMBL4657701 | 0.48 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100016396-A1 | PYRAZOLE COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-01-21 | — | — | US | disclosed |
| EP-2128138-A1 | PYRAZOLE COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2009-12-02 | — | — | EP | disclosed |
| US-4373100-A | ANIMAL FEEDS | EGYT GYOGYSZERVEGYESZETI GYAR (HU) | 1983-02-08 | — | — | US | disclosed |