⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11118300 | 0.82 | ALDH1A1 (0.38) | — | |
| SCHEMBL22128508 | 0.80 | — | — | |
| SCHEMBL7113183 | 0.79 | — | — | |
| SCHEMBL329186 | 0.79 | — | — | |
| SCHEMBL315210 | 0.79 | — | — | |
| SCHEMBL17837319 | 0.79 | — | — | |
| SCHEMBL4439647 | 0.77 | — | — | |
| SCHEMBL7936281 | 0.77 | ALOX15 (0.36) | — | |
| SCHEMBL698595 | 0.77 | AKR1B1 (0.44) | — | |
| SCHEMBL1109619 | 0.76 | LMNA (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013074748-A1 | GELATINOUS HYDROXYAPATITE-NANOCOMPOSITES | THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) | 2013-05-23 | — | — | WO | claimed |