⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21624972 | 0.72 | — | — | |
| SCHEMBL8684842 | 0.72 | — | — | |
| SCHEMBL28791962 | 0.67 | — | — | |
| SCHEMBL1898300 | 0.67 | — | — | |
| SCHEMBL6505900 | 0.67 | — | — | |
| SCHEMBL28347724 | 0.67 | — | — | |
| SCHEMBL10511393 | 0.67 | — | — | |
| SCHEMBL713940 | 0.67 | — | — | |
| SCHEMBL1023913 | 0.67 | — | — | |
| SCHEMBL28186402 | 0.67 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104507940-B | Heterocyclic compounds | 武田药品工业株式会社 | 2017-01-25 | — | — | CN | disclosed |
| CN-102516115-B | As the antagonist of Opioid Receptors or the new compound of inverse agonist | SMITHKLINE BEECHAN CORP. (US) | 2016-05-11 | — | — | CN | disclosed |