⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3405835 | 0.95 | — | — | |
| SCHEMBL3406955 | 0.93 | — | — | |
| SCHEMBL509678 | 0.91 | ABCC2 (0.59) | — | |
| SCHEMBL509137 | 0.90 | — | — | |
| SCHEMBL3402946 | 0.89 | — | — | |
| SCHEMBL3401987 | 0.89 | — | — | |
| SCHEMBL509741 | 0.89 | — | — | |
| SCHEMBL3402185 | 0.88 | — | — | |
| SCHEMBL3403403 | 0.88 | ABCC2 (0.58) | — | |
| SCHEMBL3406833 | 0.86 | — | — |
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 |