⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL370709 | 0.73 | — | — | |
| SCHEMBL4456252 | 0.67 | — | — | |
| SCHEMBL16676087 | 0.63 | — | — | |
| SCHEMBL22400031 | 0.63 | — | — | |
| SCHEMBL24908067 | 0.60 | — | — | |
| SCHEMBL1931674 | 0.58 | TSHR (0.33) | — | |
| SCHEMBL498964 | 0.58 | TSHR (0.33) | — | |
| SCHEMBL20489374 | 0.58 | — | — | |
| SCHEMBL7637863 | 0.58 | — | — | |
| SCHEMBL22703581 | 0.57 | — | — |
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-8916701-B2 | Methods of making diastereomeric organic compounds | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-12-23 | — | — | US | disclosed |
| US-20140135493-A1 | METHODS OF MAKING DIASTEREOMERIC ORGANIC COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-05-15 | — | — | US | disclosed |