⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL353390 | 0.72 | — | — | |
| SCHEMBL29769306 | 0.72 | — | — | |
| SCHEMBL9382176 | 0.72 | — | — | |
| SCHEMBL30186431 | 0.69 | HSD17B1 (0.50) | — | |
| SCHEMBL17090940 | 0.69 | CA2 (0.36) | — | |
| SCHEMBL8707812 | 0.69 | — | — | |
| SCHEMBL29822021 | 0.69 | CA2 (0.36) | — | |
| SCHEMBL801878 | 0.68 | — | — | |
| SCHEMBL12777853 | 0.68 | — | — | |
| SCHEMBL12778693 | 0.68 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3719022-A1 | POLYCYCLIC COMPOUNDS AS INHIBITORS OF BRUTON'S TYROSINE KINASE | Janssen Pharmaceutica NV (BE) | 2020-10-07 | — | — | EP | disclosed |
| WO-2019149260-A1 | PYRIDAZINOL COMPOUND, DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF | 青岛清原化合物有限公司 | 2019-08-08 | — | — | WO | disclosed |
| WO-2011050160-A1 | PHARMACEUTICALS, COMPOSITIONS AND METHODS OF MAKING AND USING THE SAME | BIOGEN IDEC MA INC. (US) | 2011-04-28 | — | — | WO | disclosed |