⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13738433 | 1.00 | — | — | |
| SCHEMBL2266330 | 1.00 | — | — | |
| SCHEMBL9210144 | 1.00 | — | — | |
| SCHEMBL4500790 | 1.00 | — | — | |
| Iodide SCHEMBL9406526 | 0.98 | KCNH2 (0.36) | — | |
| SCHEMBL3126955 | 0.88 | CPN1 (0.42) | — | |
| SCHEMBL992698 | 0.88 | SLC6A2 (0.32) | — | |
| SCHEMBL24838517 | 0.86 | DPP4 (0.44) | — | |
| SCHEMBL2465728 | 0.86 | DPP4 (0.44) | — | |
| SCHEMBL28965939 | 0.86 | KCNH2 (0.30) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104918615-B | The method for treating hepatopathy | 扎夫根股份有限公司 | 2018-10-12 | — | — | CN | disclosed |
| US-9732083-B2 | Tricyclic gyrase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2017-08-15 | — | — | US | disclosed |
| CN-103764641-B | The tricyclic compound of fractional saturation and preparation and application thereof | 扎夫根股份有限公司 | 2016-10-26 | — | — | CN | disclosed |
| CN-104918615-A | Methods of treating liver diseases | ZAFGEN INC | 2015-09-16 | — | — | CN | disclosed |
| CN-103764641-A | Partially saturated tricyclic compounds and methods of making and using same | ZAFGEN CORP | 2014-04-30 | — | — | CN | disclosed |