⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21731077 | 0.81 | — | — | |
| SCHEMBL9966755 | 0.81 | — | — | |
| SCHEMBL14118374 | 0.73 | — | — | |
| SCHEMBL16213754 | 0.72 | — | — | |
| SCHEMBL27267528 | 0.70 | — | — | |
| SCHEMBL15907343 | 0.69 | — | — | |
| SCHEMBL16518372 | 0.68 | — | — | |
| SCHEMBL14118981 | 0.68 | — | — | |
| SCHEMBL26451907 | 0.68 | — | — | |
| SCHEMBL21103431 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8962641-B2 | Pyrimidine-substituted pyrrolidine derivatives, pharmaceutical compositions and uses thereof | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2015-02-24 | — | — | US | disclosed |
| US-8877741-B2 | Pyrrolidine derivatives, pharmaceutical compositions and uses thereof | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-11-04 | — | — | US | disclosed |
| US-8530460-B2 | Azetidine derivatives | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-09-10 | — | — | US | disclosed |
| US-20130158004-A1 | Azetidine Derivatives | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-06-20 | — | — | US | disclosed |