⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19078771 | 0.91 | AKR1C3 (0.52) | — | |
| SCHEMBL19078776 | 0.88 | L3MBTL1 (0.55) | — | |
| SCHEMBL19078795 | 0.88 | AKR1C3 (0.50) | — | |
| SCHEMBL17276732 | 0.87 | AKR1C3 (0.49) | — | |
| SCHEMBL19078797 | 0.87 | — | — | |
| SCHEMBL19078775 | 0.86 | AKR1C3 (0.56) | — | |
| SCHEMBL19078738 | 0.86 | L3MBTL1 (0.54) | — | |
| SCHEMBL19078778 | 0.86 | AKR1C3 (0.55) | — | |
| SCHEMBL17276459 | 0.84 | LMNA (0.54) | — | |
| SCHEMBL19078789 | 0.83 | AKR1C3 (0.46) | — |
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-20170190669-A1 | PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME | H. LUNDBECK A/S (DK) | 2017-07-06 | — | — | US | disclosed |