⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7112186 | 0.81 | ADRB2 (0.41) | — | |
| SCHEMBL783252 | 0.72 | CA1 (0.30) | — | |
| SCHEMBL30353853 | 0.67 | — | — | |
| SCHEMBL7109015 | 0.67 | — | — | |
| SCHEMBL7592467 | 0.67 | — | — | |
| SCHEMBL7591209 | 0.67 | — | — | |
| SCHEMBL7590816 | 0.67 | — | — | |
| SCHEMBL7592150 | 0.67 | — | — | |
| SCHEMBL7592590 | 0.67 | — | — | |
| SCHEMBL7591550 | 0.67 | — | — |
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-0834514-B1 | Process for synthesizing metallocene compounds | KANTO KAGAKU (JP) | 2003-10-22 | — | — | EP | disclosed |