⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8956913 | 0.77 | FFAR3 (0.38) | — | |
| SCHEMBL6207092 | 0.75 | TDP1 (0.37) | — | |
| SCHEMBL6207947 | 0.74 | MAPT (0.38) | — | |
| SCHEMBL6206732 | 0.74 | — | — | |
| SCHEMBL15188856 | 0.72 | — | — | |
| SCHEMBL29136012 | 0.69 | — | — | |
| SCHEMBL21414918 | 0.67 | CA12 (0.33) | — | |
| SCHEMBL7055782 | 0.66 | — | — | |
| SCHEMBL21778 | 0.66 | — | — | |
| SCHEMBL22061 | 0.66 | TDP1 (0.47) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104507957-A | Hydroxystatin derivatives for treatment of arthrosis | MERCK PATENT GMBH | 2015-04-08 | — | — | CN | claimed |
| CN-104507957-B | For treating the hydroxyl statin derivative of arthropathy | 默克专利股份有限公司 | 2018-12-25 | — | — | CN | disclosed |
| CN-108752241-A | Acyl group guanidine for treating arthropathy | 默克专利股份公司 | 2018-11-06 | — | — | CN | disclosed |
| CN-103370331-B | Amino statin derivatives for the treatment of arthrosis | 默克专利股份有限公司 | 2017-02-15 | — | — | CN | disclosed |
| CN-105102424-A | Acylguanidines for the treatment of arthrosis | MERCK PATENT GMBH | 2015-11-25 | — | — | CN | disclosed |
| CN-104507957-A | Hydroxystatin derivatives for treatment of arthrosis | MERCK PATENT GMBH | 2015-04-08 | — | — | CN | disclosed |