⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16653876 | 0.72 | KDM4E (0.31) | — | |
| SCHEMBL31536597 | 0.67 | — | — | |
| SCHEMBL4669706 | 0.66 | ALDH1A1 (0.37) | — | |
| SCHEMBL17189093 | 0.65 | KDM4E (0.32) | — | |
| SCHEMBL23735432 | 0.64 | — | — | |
| SCHEMBL20746403 | 0.64 | — | — | |
| SCHEMBL14505981 | 0.63 | — | — | |
| SCHEMBL23484042 | 0.62 | EPHX1 (0.35) | — | |
| SCHEMBL19292873 | 0.61 | — | — | |
| SCHEMBL19292735 | 0.61 | — | — |
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-20070117986-A1 | TRANS-3,5-DISUBSTITUTEDPYRROLIDINE: ORGANOCATALYST FOR anti-MANNICH REACTIONS | THE SCRIPPS RESEARCH INSTITUTE | 2007-05-24 | — | — | US | disclosed |
| US-20070117986-A1 | TRANS-3,5-DISUBSTITUTEDPYRROLIDINE: ORGANOCATALYST FOR anti-MANNICH REACTIONS | THE SCRIPPS RESEARCH INSTITUTE | 2007-05-24 | — | — | US | disclosed |