⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21146090 | 0.83 | — | — | |
| SCHEMBL17180419 | 0.74 | — | — | |
| SCHEMBL3647529 | 0.72 | ALDH1A1 (0.46) | — | |
| SCHEMBL38657611 | 0.72 | ALDH1A1 (0.46) | — | |
| SCHEMBL1333359 | 0.72 | PIK3CD (0.37) | — | |
| SCHEMBL15415289 | 0.67 | — | — | |
| SCHEMBL16302915 | 0.67 | — | — | |
| SCHEMBL8617428 | 0.67 | CYP2C9 (0.35) | — | |
| SCHEMBL208710 | 0.67 | — | — | |
| SCHEMBL16708769 | 0.67 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3594202-B1 | SUBSTITUTED PYRROLIDINE COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICALS CO (JP) | 2021-08-11 | — | — | EP | disclosed |
| US-11034700-B2 | Substituted pyrrolidine compound and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2021-06-15 | — | — | US | disclosed |
| US-20200392149-A1 | SUBSTITUTED PYRROLIDINE COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2020-12-17 | — | — | US | disclosed |