⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27354874 | 0.80 | — | — | |
| SCHEMBL15188595 | 0.78 | — | — | |
| SCHEMBL10073402 | 0.78 | — | — | |
| SCHEMBL10211165 | 0.78 | — | — | |
| SCHEMBL13651399 | 0.78 | — | — | |
| SCHEMBL23332630 | 0.78 | — | — | |
| SCHEMBL22746341 | 0.78 | — | — | |
| SCHEMBL23593759 | 0.78 | — | — | |
| SCHEMBL7991916 | 0.76 | — | — | |
| SCHEMBL18725034 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011103686-A1 | CEPHALOSPORIN DERIVATIVES USEFUL AS β-LACTAMASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF | VISWANATHA , SUNDARAMMA (CA) | 2011-09-01 | — | — | WO | disclosed |
| EP-2096111-A1 | PYRAZOLES AND USE THEREOF AS DRUGS | Japan Tobacco Inc. (JP) | 2009-09-02 | — | — | EP | disclosed |
| EP-1592426-B1 | 2-CYANOPYRROLOPYRIMIDINES AND PHARMACEUTICAL USES THEREOF | NOVARTIS AG (CH) | 2007-12-19 | — | — | EP | disclosed |
| WO-2004069256-A1 | 2-CYANOPYRROLOPYRIMIDINES AND PHARMACEUTICAL USES THEREOF | NOVARTIS AG (CH) | 2004-08-19 | — | — | WO | disclosed |