⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19078734 | 0.81 | ALDH1A1 (0.53) | — | |
| SCHEMBL19078735 | 0.78 | ALDH1A1 (0.49) | — | |
| SCHEMBL19078736 | 0.77 | L3MBTL1 (0.48) | — | |
| SCHEMBL17276419 | 0.77 | FAAH (0.53) | — | |
| SCHEMBL17276708 | 0.76 | — | — | |
| SCHEMBL17276421 | 0.75 | — | — | |
| SCHEMBL17276886 | 0.73 | — | — | |
| SCHEMBL17276446 | 0.72 | FAAH (0.55) | — | |
| SCHEMBL17276823 | 0.72 | FAAH (0.65) | — | |
| SCHEMBL17276770 | 0.72 | FAAH (0.62) | — |
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 |