⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25207801 | 0.77 | — | — | |
| SCHEMBL19545265 | 0.76 | — | — | |
| SCHEMBL19545261 | 0.74 | LMNA (0.55) | — | |
| SCHEMBL12408439 | 0.72 | — | — | |
| SCHEMBL20372889 | 0.72 | — | — | |
| SCHEMBL2623639 | 0.72 | MAPK1 (0.40) | — | |
| SCHEMBL16152468 | 0.72 | — | — | |
| SCHEMBL14521386 | 0.65 | — | — | |
| SCHEMBL473650 | 0.64 | — | — | |
| SCHEMBL2623618 | 0.64 | MAPK1 (0.33) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8410028-B2 | Methods for synthesis of encoded libraries | GLAXOSMITHKLINE LLC (US) | 2013-04-02 | — | — | US | disclosed |
| US-20070224607-A1 | Methods for identifying compounds of interest using encoded libraries | PRAECIS PHARMACEUTICALS INCORPORATED (US) | 2007-09-27 | — | — | US | disclosed |