⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13995903 | 0.85 | — | — | |
| SCHEMBL3406562 | 0.85 | ABCC2 (0.65) | — | |
| SCHEMBL3402928 | 0.85 | — | — | |
| SCHEMBL5140248 | 0.83 | ABCC2 (0.51) | — | |
| SCHEMBL13330278 | 0.81 | — | — | |
| SCHEMBL5139588 | 0.81 | ABCC2 (0.63) | — | |
| SCHEMBL3285115 | 0.80 | MAPT (0.51) | — | |
| SCHEMBL3398074 | 0.79 | — | — | |
| SCHEMBL5139930 | 0.78 | ABCC2 (0.46) | — | |
| SCHEMBL13995896 | 0.78 | — | — |
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-2008020227-A2 | ANTIBACTERIAL PYRROLECARBOXAMIDES | ASTRAZENECA AB (SE) | 2008-02-21 | — | — | WO | claimed |