⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19753009 | 0.80 | EPHX1 (0.40) | — | |
| SCHEMBL5048943 | 0.79 | — | — | |
| SCHEMBL3369666 | 0.74 | — | — | |
| SCHEMBL19123729 | 0.71 | — | — | |
| SCHEMBL21577152 | 0.71 | — | — | |
| SCHEMBL1781774 | 0.71 | — | — | |
| SCHEMBL2012943 | 0.71 | — | — | |
| SCHEMBL21279552 | 0.71 | — | — | |
| SCHEMBL1782773 | 0.71 | — | — | |
| SCHEMBL20037993 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009094462-A1 | A CRYSTALLINE SYNTHETIC INTERMEDIATE FOR PYRROLIDIN-3-YL-GLYCYLAMINOALKYLBORONATES | PHENOMIX CORPORATION (US) | 2009-07-30 | — | — | WO | disclosed |
| WO-2005025498-A2 | SUBSTITUTED ACETANILIDES AND BENZAMIDES FOR THE TREATMENT OF ASTHMA AND PULMONARY INFLAMMATION | CORUS PHARMA (US) | 2005-03-24 | — | — | WO | disclosed |