⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3686261 | 0.74 | ERN1 (0.32) | — | |
| SCHEMBL29956071 | 0.74 | ERN1 (0.32) | — | |
| SCHEMBL29954756 | 0.74 | CDK2 (0.32) | — | |
| SCHEMBL23947099 | 0.67 | — | — | |
| SCHEMBL29958423 | 0.67 | TDP1 (0.46) | — | |
| SCHEMBL29954962 | 0.67 | — | — | |
| SCHEMBL29952103 | 0.67 | — | — | |
| SCHEMBL10290095 | 0.67 | TDP1 (0.46) | — | |
| SCHEMBL1501582 | 0.67 | — | — | |
| SCHEMBL142888 | 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 |
|---|---|---|---|---|---|---|---|
| EP-2401275-A1 | NOVEL BRONCHODILATING DIAZAHETEROARYLS | Respiratorius AB (SE) | 2012-01-04 | — | — | EP | disclosed |
| WO-2010097410-A1 | NOVEL BRONCHODILATING DIAZAHETEROARYLS | RESPIRATORIUS AB (SE) | 2010-09-02 | — | — | WO | disclosed |