⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3281636 | 0.88 | — | — | |
| SCHEMBL3280769 | 0.88 | — | — | |
| SCHEMBL3288793 | 0.86 | — | — | |
| SCHEMBL3287786 | 0.84 | HTR3E (0.46) | — | |
| SCHEMBL3288919 | 0.82 | — | — | |
| SCHEMBL3281451 | 0.82 | — | — | |
| SCHEMBL3281317 | 0.82 | HSD11B1 (0.50) | — | |
| SCHEMBL5751163 | 0.82 | — | — | |
| SCHEMBL3282659 | 0.81 | — | — | |
| SCHEMBL4334757 | 0.81 | TRPV1 (0.51) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7709503-B2 | Pyrrol derivatives with antibacterial activity | ASTRAZENECA AB (SE) | 2010-05-04 | — | — | US | disclosed |
| EP-1664025-B1 | PYRROL DERIVATIVES WITH ANTIBACTERIAL ACTIVITY | ASTRAZENECA AB (SE) | 2007-09-19 | — | — | EP | disclosed |
| US-20060223801-A1 | Pyrrol derivatives with antibacterial activity | ASTRAZENECA AB (SE) | 2006-10-05 | — | — | US | disclosed |
| EP-1664025-A1 | PYRROL DERIVATIVES WITH ANTIBACTERIAL ACTIVITY | AstraZeneca AB (SE) | 2006-06-07 | — | — | EP | disclosed |
| WO-2005026149-A1 | PYRROL DERIVATIVES WITH ANTIBACTERIAL ACTIVITY | ASTRAZENECA AB (SE) | 2005-03-24 | — | — | WO | disclosed |