⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19762474 | 0.76 | — | — | |
| SCHEMBL1580624 | 0.74 | — | — | |
| SCHEMBL4279640 | 0.72 | — | — | |
| SCHEMBL14076389 | 0.70 | — | — | |
| SCHEMBL21589371 | 0.70 | — | — | |
| SCHEMBL28119125 | 0.68 | — | — | |
| SCHEMBL4876748 | 0.65 | CYP2C19 (0.54) | — | |
| Hydrochloric Acid SCHEMBL8997511 | 0.64 | CYP2C19 (0.52) | — | |
| SCHEMBL11390628 | 0.64 | — | — | |
| SCHEMBL21589372 | 0.64 | — | — |
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 |