⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19647606 | 0.64 | MRGPRX2 (0.34) | — | |
| SCHEMBL9995617 | 0.63 | — | — | |
| SCHEMBL14595342 | 0.62 | — | — | |
| SCHEMBL15062239 | 0.57 | — | — | |
| SCHEMBL6663188 | 0.57 | — | — | |
| SCHEMBL13075736 | 0.54 | — | — | |
| SCHEMBL28448217 | 0.53 | — | — | |
| SCHEMBL20713905 | 0.52 | — | — | |
| SCHEMBL13941681 | 0.52 | — | — | |
| SCHEMBL13620737 | 0.52 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1098874-B1 | BENZOCYCLOHEPTENES, METHOD FOR THE PRODUCTION THEREOF, PHARMACEUTICAL PREPARATIONS CONTAINING THESE COMPOUNDS, AND THEIR USE FOR PRODUCING MEDICAMENTS | SCHERING AG (DE) | 2003-06-18 | — | — | EP | claimed |