⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2967744 | 0.82 | — | — | |
| SCHEMBL6238926 | 0.72 | ALDH1A1 (0.32) | — | |
| SCHEMBL10909386 | 0.67 | LMNA (0.33) | — | |
| SCHEMBL6521956 | 0.65 | KDM4E (0.40) | — | |
| SCHEMBL74108 | 0.64 | MMP13 (0.41) | — | |
| SCHEMBL2967822 | 0.64 | MMP13 (0.41) | — | |
| SCHEMBL75900 | 0.64 | MMP13 (0.41) | — | |
| SCHEMBL2976201 | 0.63 | LMNA (0.35) | — | |
| SCHEMBL2967748 | 0.62 | SMN1; SMN2 (0.43) | — | |
| SCHEMBL2872028 | 0.60 | — | — |
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-20080004317-A1 | Compounds | ASTRAZENECA AB (SE) | 2008-01-03 | — | — | US | disclosed |