⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14651113 | 0.83 | ALDH1A1 (0.32) | — | |
| SCHEMBL17464288 | 0.77 | — | — | |
| SCHEMBL413824 | 0.76 | NOTUM (0.41) | — | |
| SCHEMBL12592377 | 0.73 | SLC6A2 (0.49) | — | |
| SCHEMBL14371524 | 0.73 | SLC6A2 (0.49) | — | |
| SCHEMBL12592372 | 0.73 | SLC6A2 (0.49) | — | |
| SCHEMBL13473846 | 0.73 | SLC6A2 (0.49) | — | |
| SCHEMBL12904166 | 0.73 | ALDH1A1 (0.43) | — | |
| SCHEMBL25225141 | 0.72 | ALDH1A1 (0.33) | — | |
| SCHEMBL28798049 | 0.72 | ALDH1A1 (0.33) | — |
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-20160024121-A1 | BETA-LACTAMASE INHIBITORS | VenatoRx Pharmaceuticals, Inc. | 2016-01-28 | — | — | US | disclosed |
| US-20120035214-A1 | RENIN INHIBITORS | MERCK CANADA INC. (CA) | 2012-02-09 | — | — | US | disclosed |