⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21495049 | 0.78 | ALDH1A1 (0.47) | — | |
| SCHEMBL540882 | 0.78 | ALDH1A1 (0.47) | — | |
| SCHEMBL4960285 | 0.76 | ACP3 (0.43) | — | |
| SCHEMBL1701121 | 0.76 | ADRB1 (0.43) | — | |
| SCHEMBL27992416 | 0.76 | ALDH1A1 (0.50) | — | |
| SCHEMBL4062829 | 0.76 | SLC6A3 (0.33) | — | |
| SCHEMBL169020 | 0.76 | ACP3 (0.43) | — | |
| SCHEMBL167914 | 0.76 | HDAC4 (0.44) | — | |
| SCHEMBL1420027 | 0.74 | RXRA (0.41) | — | |
| SCHEMBL688950 | 0.73 | CES2 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104379576-B | Substituted pyrrolidines as factor XIA inhibitors for the treatment of thromboembolic disorders | 小野药品工业株式会社 | 2017-05-10 | — | — | CN | disclosed |
| CN-101511796-B | Imidazole derivatives | KYOWA HAKKO KOGYO KK | 2012-05-09 | — | — | CN | disclosed |
| CN-101511796-A | Imidazole derivative | KYOWA HAKKO KOGYO KK (JP) | 2009-08-19 | — | — | CN | disclosed |