⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12868887 | 0.69 | — | — | |
| SCHEMBL17582494 | 0.67 | — | — | |
| SCHEMBL1863727 | 0.67 | — | — | |
| SCHEMBL2400609 | 0.67 | TSHR (0.31) | — | |
| SCHEMBL992720 | 0.67 | — | — | |
| SCHEMBL3501288 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL1997210 | 0.65 | LOX (0.32) | — | |
| SCHEMBL31531230 | 0.65 | — | — | |
| SCHEMBL11143679 | 0.65 | CYP1A2 (0.34) | — | |
| SCHEMBL18896370 | 0.65 | — | — |
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-105189499-B | naphthyridine derivatives useful as avbeta6 integrin antagonists | 葛兰素史克知识产权开发有限公司 | 2016-09-28 | — | — | CN | disclosed |