⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20572472 | 0.85 | — | — | |
| SCHEMBL19182728 | 0.85 | — | — | |
| SCHEMBL14397505 | 0.80 | — | — | |
| SCHEMBL14271451 | 0.80 | TSHR (0.32) | — | |
| SCHEMBL2058553 | 0.79 | TSHR (0.39) | — | |
| SCHEMBL16212597 | 0.78 | — | — | |
| SCHEMBL10946806 | 0.78 | — | — | |
| Oxalic Acid SCHEMBL11812112 | 0.76 | GABRR1 (0.35) | — | |
| SCHEMBL8986396 | 0.74 | CES2 (0.47) | — | |
| SCHEMBL10681628 | 0.74 | CES2 (0.47) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1381344-A4 | NOVEL VACCINE | GLAXOSMITHKLINE BIOLOG SA (BE) | 2008-06-11 | — | — | EP | disclosed |
| EP-1381344-A2 | NOVEL VACCINE | GlaxoSmithKline Biologicals S.A. (BE) | 2004-01-21 | — | — | EP | disclosed |
| WO-2002087494-A2 | NOVEL VACCINE | GLAXOSMITHKLINE BIOLOGICALS, SA (BE) | 2002-11-07 | — | — | WO | disclosed |