⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27955735 | 0.73 | — | — | |
| SCHEMBL20730448 | 0.73 | MAPK1 (0.31) | — | |
| SCHEMBL28434851 | 0.71 | — | — | |
| SCHEMBL8211972 | 0.71 | — | — | |
| SCHEMBL7900911 | 0.71 | — | — | |
| SCHEMBL7928068 | 0.71 | — | — | |
| Isopropyl Alcohol SCHEMBL457362 | 0.69 | ALDH1A1 (0.61) | — | |
| SCHEMBL14321410 | 0.69 | — | — | |
| SCHEMBL22838179 | 0.69 | — | — | |
| SCHEMBL1394321 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20090220426-A1 | Biodegradable Inverted-Opal Structure, Method for Manufacturing and Using the Same, and Medical Implant Comprising the Biodegradable Inverted-Opal Structure | KINKI UNIVERSITY (JP) | 2009-09-03 | — | — | US | disclosed |