⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9188953 | 0.83 | HTR2A (0.48) | — | |
| SCHEMBL9188946 | 0.83 | HTR2A (0.48) | — | |
| SCHEMBL3806452 | 0.78 | — | — | |
| SCHEMBL19403915 | 0.78 | — | — | |
| SCHEMBL18265649 | 0.78 | — | — | |
| SCHEMBL466778 | 0.75 | — | — | |
| SCHEMBL21847765 | 0.75 | HTR2A (0.43) | — | |
| SCHEMBL466779 | 0.75 | — | — | |
| SCHEMBL7741970 | 0.73 | — | — | |
| SCHEMBL2875434 | 0.73 | — | — |
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-1268930-B1 | Method for making a coating composition | BASF SE (DE) | 2009-09-09 | — | — | EP | disclosed |