⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14965937 | 1.00 | — | — | |
| SCHEMBL14965522 | 0.87 | NPC1 (0.34) | — | |
| SCHEMBL14965603 | 0.79 | POLB (0.33) | — | |
| SCHEMBL14965404 | 0.78 | TP53 (0.33) | — | |
| SCHEMBL364539 | 0.73 | POLB (0.32) | — | |
| SCHEMBL364836 | 0.73 | POLB (0.32) | — | |
| SCHEMBL364105 | 0.73 | POLB (0.35) | — | |
| SCHEMBL362616 | 0.71 | POLB (0.34) | — | |
| SCHEMBL363851 | 0.71 | POLB (0.32) | — | |
| SCHEMBL363472 | 0.71 | KCNN4 (0.36) | — |
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-2780330-A1 | 1-PYRIDAZINYL-HYDROXYIMINO- 3- PHENYL- PROPANES AS GPBAR1 AGONISTS | F.HOFFMANN-LA ROCHE AG (CH) | 2014-09-24 | — | — | EP | disclosed |
| WO-2013072265-A1 | 1-PYRIDAZINYL-HYDROXYIMINO- 3- PHENYL- PROPANES AS GPBAR1 AGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2013-05-23 | — | — | WO | disclosed |