⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28254756 | 0.97 | KCNH2 (0.37) | — | |
| SCHEMBL28063709 | 0.90 | ADH1B (0.37) | — | |
| Hydrochloric Acid SCHEMBL28254730 | 0.88 | ADH1B (0.35) | — | |
| SCHEMBL20576713 | 0.83 | KCNH2 (0.59) | — | |
| SCHEMBL17311122 | 0.83 | KCNH2 (0.59) | — | |
| SCHEMBL31014224 | 0.80 | KCNH2 (0.45) | — | |
| SCHEMBL23951746 | 0.79 | — | — | |
| SCHEMBL1678728 | 0.77 | — | — | |
| SCHEMBL1009313 | 0.77 | GNAI3 (0.44) | — | |
| Hydrochloric Acid SCHEMBL4796821 | 0.75 | GNAI3 (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105492433-B | 6- (5-hydroxy-1H-pyrazol-1-yl) nicotinamide derivatives and their use as PHD inhibitors | 武田药品工业株式会社 | 2018-11-23 | — | — | CN | disclosed |
| CN-105492433-A | 6- (5-hydroxy-1H-pyrazol-1-yl) nicotinamide derivatives and their use as PHD inhibitors | TAKEDA PHARMACEUTICALS CO | 2016-04-13 | — | — | CN | disclosed |