⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19078696 | 0.89 | AKR1C3 (0.42) | — | |
| SCHEMBL19078700 | 0.87 | — | — | |
| SCHEMBL19078701 | 0.85 | — | — | |
| SCHEMBL19078705 | 0.83 | FAAH (0.47) | — | |
| SCHEMBL19078703 | 0.83 | FAAH (0.43) | — | |
| SCHEMBL19078704 | 0.82 | FAAH (0.44) | — | |
| SCHEMBL19078706 | 0.80 | FAAH (0.42) | — | |
| SCHEMBL19088704 | 0.78 | GCGR (0.44) | — | |
| SCHEMBL17276788 | 0.75 | GPX4 (0.51) | — | |
| SCHEMBL17276531 | 0.73 | AKR1C3 (0.59) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20170190669-A1 | PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME | H. LUNDBECK A/S (DK) | 2017-07-06 | — | — | US | disclosed |
| US-20170190669-A1 | PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME | H. LUNDBECK A/S (DK) | 2017-07-06 | — | — | US | disclosed |