⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13995896 | 0.92 | — | — | |
| SCHEMBL3406562 | 0.92 | ABCC2 (0.65) | — | |
| SCHEMBL3402928 | 0.92 | — | — | |
| SCHEMBL509699 | 0.91 | ABCC2 (0.53) | — | |
| SCHEMBL509899 | 0.89 | — | — | |
| SCHEMBL13995915 | 0.87 | — | — | |
| SCHEMBL13071263 | 0.86 | — | — | |
| SCHEMBL3398074 | 0.86 | — | — | |
| SCHEMBL5139122 | 0.85 | — | — | |
| SCHEMBL510399 | 0.85 | ABCC2 (0.58) | — |
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 |