⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11666054 | 0.58 | — | — | |
| SCHEMBL1053762 | 0.56 | — | — | |
| SCHEMBL3221127 | 0.54 | TSHR (0.37) | — | |
| SCHEMBL5226067 | 0.54 | — | — | |
| SCHEMBL3047023 | 0.52 | — | — | |
| SCHEMBL3227576 | 0.48 | FYN (0.36) | — | |
| SCHEMBL37918 | 0.47 | — | — | |
| SCHEMBL6360329 | 0.44 | — | — | |
| SCHEMBL11809662 | 0.44 | — | — | |
| SCHEMBL11802014 | 0.44 | — | — |
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-2096111-A1 | PYRAZOLES AND USE THEREOF AS DRUGS | Japan Tobacco Inc. (JP) | 2009-09-02 | — | — | EP | disclosed |
| US-20090036450-A1 | PYRAZOLE COMPOUNDS AND USE THEREOF | JAPAN TOBACCO, INC. (JP) | 2009-02-05 | — | — | US | disclosed |