⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2103347 | 0.70 | — | — | |
| SCHEMBL6658112 | 0.67 | — | — | |
| SCHEMBL16969852 | 0.63 | — | — | |
| SCHEMBL2911225 | 0.63 | — | — | |
| SCHEMBL6957609 | 0.60 | — | — | |
| SCHEMBL5693532 | 0.60 | — | — | |
| SCHEMBL6535656 | 0.60 | — | — | |
| SCHEMBL27956875 | 0.60 | — | — | |
| SCHEMBL1531118 | 0.60 | — | — | |
| SCHEMBL27760388 | 0.60 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104873520-A | 11 beta-hydroxysteroid dehydrogenase inhibitor and its pharmaceutical composition and use | TIANJIN INST PHARM RESEARCH | 2015-09-02 | — | — | CN | disclosed |