⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2827320 | 0.75 | KDM4E (0.33) | — | |
| SCHEMBL28381822 | 0.75 | KDM4E (0.33) | — | |
| SCHEMBL25005776 | 0.70 | ELANE (0.32) | — | |
| SCHEMBL30500459 | 0.68 | SYK (0.36) | — | |
| SCHEMBL25005850 | 0.66 | ELANE (0.38) | — | |
| SCHEMBL3105704 | 0.64 | — | — | |
| SCHEMBL3581966 | 0.64 | — | — | |
| SCHEMBL20711244 | 0.63 | KDM4E (0.37) | — | |
| SCHEMBL18732696 | 0.63 | EPHX2 (0.36) | — | |
| SCHEMBL29230987 | 0.61 | KDM4E (0.35) | — |
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-20080312255-A1 | PIPERDINE COMPOUNDS AND USES THEREOF-911 | ASTRAZENECA AB (SE) | 2008-12-18 | — | — | US | disclosed |