⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6551725 | 0.77 | CCR5 (0.34) | — | |
| SCHEMBL27496081 | 0.71 | — | — | |
| SCHEMBL5661910 | 0.68 | — | — | |
| SCHEMBL93116 | 0.68 | FAAH (0.55) | — | |
| SCHEMBL9133779 | 0.68 | FAAH (0.55) | — | |
| SCHEMBL23566850 | 0.68 | FAAH (0.55) | — | |
| SCHEMBL9133782 | 0.68 | FAAH (0.55) | — | |
| SCHEMBL17262056 | 0.68 | FAAH (0.55) | — | |
| SCHEMBL93117 | 0.68 | FAAH (0.55) | — | |
| SCHEMBL28114459 | 0.67 | TSHR (0.36) | — |
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-20070066608-A1 | Novel indole derivatives with an improved antipsychotic activity | JANSSEN PHARMACEUTICA N.V. (BE) | 2007-03-22 | — | — | US | disclosed |
| EP-0220695-A1 | Herbicidal compounds, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1987-05-06 | — | — | EP | disclosed |