⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9510656 | 0.79 | ALDH1A1 (0.37) | — | |
| SCHEMBL8723917 | 0.77 | — | — | |
| SCHEMBL27682052 | 0.77 | — | — | |
| SCHEMBL21816739 | 0.74 | — | — | |
| SCHEMBL8867805 | 0.74 | — | — | |
| SCHEMBL9589440 | 0.74 | ALDH1A1 (0.44) | — | |
| SCHEMBL11425554 | 0.70 | TSHR (0.36) | — | |
| SCHEMBL11583645 | 0.70 | ALDH1A1 (0.30) | — | |
| SCHEMBL27653314 | 0.70 | ALDH1A1 (0.36) | — | |
| Cyclohexane SCHEMBL29022135 | 0.70 | CA2 (0.43) | — |
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-112055712-A | Processes and intermediates for preparing therapeutic compounds useful in the treatment of retroviral infections | 吉利德科学公司 | 2020-12-08 | — | — | CN | disclosed |
| EP-2477989-A1 | COMPOUNDS HAVING TAFIa INHIBITORY ACTIVITY | Taisho Pharmaceutical Co., Ltd. (JP) | 2012-07-25 | — | — | EP | disclosed |
| WO-2011034215-A1 | COMPOUNDS HAVING TAFIa INHIBITORY ACTIVITY | TAISHO PHARMACEUTICAL CO., LTD. (JP) | 2011-03-24 | — | — | WO | disclosed |