⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1302875 | 0.76 | — | — | |
| SCHEMBL1302820 | 0.57 | LMNA (0.44) | — | |
| SCHEMBL1693306 | 0.56 | — | — | |
| SCHEMBL20488427 | 0.56 | POLB (0.38) | — | |
| SCHEMBL15058695 | 0.56 | BTK (0.38) | — | |
| SCHEMBL12582055 | 0.55 | — | — | |
| SCHEMBL301155 | 0.55 | — | — | |
| SCHEMBL12449971 | 0.55 | — | — | |
| SCHEMBL20024768 | 0.55 | GABRR1 (0.42) | — | |
| SCHEMBL17886859 | 0.55 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8003639-B2 | Substituted prolinamides, the preparation thereof and the use thereof as pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-08-23 | — | — | US | disclosed |