⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5174920 | 0.92 | ALDH1A1 (0.45) | — | |
| SCHEMBL8169120 | 0.84 | MAOA (0.53) | — | |
| SCHEMBL4533321 | 0.83 | — | — | |
| SCHEMBL6622603 | 0.82 | — | — | |
| SCHEMBL9681866 | 0.82 | — | — | |
| SCHEMBL15760642 | 0.79 | HRH3 (0.43) | — | |
| SCHEMBL7311654 | 0.77 | ALDH1A1 (0.39) | — | |
| SCHEMBL4594871 | 0.77 | MAOA (0.51) | — | |
| SCHEMBL16799711 | 0.76 | — | — | |
| SCHEMBL8266619 | 0.75 | MAOA (0.50) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7605176-B2 | β-ketoamide compounds with MCH antagonistic activity | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-10-20 | — | — | US | disclosed |
| EP-0985664-B1 | Method of producing pyrrolidine derivatives | TORAY FINECHEMICALS CO LTD (JP) | 2004-03-31 | — | — | EP | disclosed |
| US-6479668-B1 | Method of producing pyrrolidine derivatives | TORAY INDUSTRIES, INC. (JP) | 2002-11-12 | — | — | US | disclosed |
| US-6130338-A | OXIDATING THE CORRESPONDING 3-PYRROLINE COMPOUND TO GIVE AN EPOXYPYRROLIDINE COMPOUND | TORAY INDUSTRIES, INC. (JP) | 2000-10-10 | — | — | US | disclosed |
| EP-0985664-A2 | Method of producing pyrrolidine derivatives | TORAY INDUSTRIES, INC. (JP) | 2000-03-15 | — | — | EP | disclosed |