⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL989551 | 0.65 | — | — | |
| SCHEMBL2090599 | 0.65 | CYP3A4 (0.35) | — | |
| SCHEMBL738255 | 0.61 | — | — | |
| SCHEMBL5012166 | 0.60 | — | — | |
| SCHEMBL1750550 | 0.54 | — | — | |
| SCHEMBL1631743 | 0.51 | — | — | |
| SCHEMBL8332978 | 0.48 | LOXL2 (0.36) | — | |
| SCHEMBL22278145 | 0.47 | HTR2A (0.33) | — | |
| SCHEMBL244917 | 0.46 | — | — | |
| SCHEMBL3150690 | 0.45 | LOXL2 (0.33) | — |
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-2070521-A1 | Surface-modified nanoparticles | Bayer Schering Pharma Aktiengesellschaft (DE) | 2009-06-17 | — | — | EP | disclosed |