⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9358435 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL25356046 | 0.98 | — | — | |
| SCHEMBL30101056 | 0.94 | — | — | |
| SCHEMBL30665505 | 0.79 | ALDH1A1 (0.31) | — | |
| SCHEMBL4968566 | 0.79 | — | — | |
| SCHEMBL3804623 | 0.78 | — | — | |
| SCHEMBL19718593 | 0.77 | — | — | |
| SCHEMBL19718514 | 0.77 | — | — | |
| SCHEMBL1062175 | 0.77 | GRM2 (0.31) | — | |
| SCHEMBL28611997 | 0.77 | GRM2 (0.31) | — |
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-8309542-B2 | Substituted pyrrolidine amides, the production thereof, and the use thereof as medications | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-11-13 | — | — | US | disclosed |
| US-20100099664-A1 | SUBSTITUTED PYRROLIDINE AMIDES, THE PRODUCTION THEREOF, AND THE USE THEREOF AS MEDICATIONS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-04-22 | — | — | US | disclosed |