⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16943590 | 0.84 | GBA1 (0.34) | — | |
| SCHEMBL11135474 | 0.82 | S1PR1 (0.38) | — | |
| SCHEMBL5597011 | 0.79 | S1PR1 (0.43) | — | |
| SCHEMBL4550374 | 0.78 | KDM4E (0.33) | — | |
| SCHEMBL4546609 | 0.77 | LMNA (0.30) | — | |
| SCHEMBL19407025 | 0.77 | KEAP1 (0.47) | — | |
| SCHEMBL22281711 | 0.74 | MAPK1 (0.32) | — | |
| SCHEMBL9801655 | 0.74 | KEAP1 (0.52) | — | |
| SCHEMBL1515408 | 0.74 | KEAP1 (0.31) | — | |
| SCHEMBL16732804 | 0.74 | KEAP1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9758480-B2 | 1-(cycloalkyl-carbonyl)proline derivative | SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) | 2017-09-12 | — | — | US | disclosed |