⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9606815 | 0.78 | CES2 (0.37) | — | |
| SCHEMBL12139945 | 0.74 | DGAT1 (0.34) | — | |
| SCHEMBL14270464 | 0.74 | SELL (0.38) | — | |
| SCHEMBL12990447 | 0.74 | CA1 (0.31) | — | |
| SCHEMBL13712122 | 0.73 | CES2 (0.31) | — | |
| SCHEMBL13361922 | 0.70 | CES2 (0.38) | — | |
| SCHEMBL1002470 | 0.69 | TAAR1 (0.35) | — | |
| SCHEMBL12327634 | 0.69 | CA9 (0.39) | — | |
| SCHEMBL3209827 | 0.67 | CES2 (0.41) | — | |
| SCHEMBL835486 | 0.67 | CES2 (0.42) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8193352-B2 | 2-(3-Ethyl-ureido)-6-pyridin-3-yl-3H-benzoimidazole-4-carboxylic acid methyl ester; for treating bacterial infections in mammals; useful in treating or lessening severity of urinary tract infections, pneumonia, prostatitis, skin and soft tissue infections, intra-abdominal infections | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-06-05 | — | — | US | disclosed |
| US-20100063069-A1 | GYRASE INHIBITORS AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-03-11 | — | — | US | disclosed |
| US-7582641-B2 | Gyrase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-09-01 | — | — | US | disclosed |
| US-7569591-B2 | Gyrase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-08-04 | — | — | US | disclosed |