⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4139639 | 0.83 | FFAR3 (0.31) | — | |
| SCHEMBL2473121 | 0.82 | OPRM1 (0.38) | — | |
| SCHEMBL31525950 | 0.76 | CYP2D6 (0.33) | — | |
| SCHEMBL30805343 | 0.69 | DGAT1 (0.36) | — | |
| SCHEMBL1282458 | 0.69 | DGAT1 (0.36) | — | |
| SCHEMBL15925046 | 0.68 | KDM4E (0.36) | — | |
| SCHEMBL16445834 | 0.64 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL31566909 | 0.64 | — | — | |
| SCHEMBL18338748 | 0.62 | OPRM1 (0.34) | — | |
| Trifluoroacetic Acid SCHEMBL31026676 | 0.62 | PKM (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1984331-A1 | PYRROLIDINE DERIVATIVES AS ERK INHIBITORS | SCHERING CORPORATION (US) | 2008-10-29 | — | — | EP | disclosed |
| WO-2007097937-A1 | PYRROLIDINE DERIVATIVES AS ERK INHIBITORS | SCHERING CORPORATION (US) | 2007-08-30 | — | — | WO | disclosed |