⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12027672 | 0.83 | — | — | |
| SCHEMBL31082002 | 0.83 | ALDH1A1 (0.58) | — | |
| SCHEMBL31094541 | 0.83 | ALDH1A1 (0.58) | — | |
| Pyrimidine SCHEMBL82718 | 0.83 | ALDH1A1 (0.33) | — | |
| SCHEMBL30672606 | 0.81 | ALDH1A1 (0.55) | — | |
| Pyrimidine SCHEMBL134034 | 0.81 | ALDH1A1 (0.72) | — | |
| Pyrimidine SCHEMBL16987122 | 0.79 | ALDH1A1 (0.68) | — | |
| Pyridine SCHEMBL27671601 | 0.75 | ALDH1A1 (0.62) | — | |
| Imidazole SCHEMBL18757203 | 0.72 | ALDH1A1 (0.77) | — | |
| Imidazole SCHEMBL724120 | 0.72 | ALDH1A1 (0.77) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230210853-A1 | TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME | Halia Therapeutics, Inc. | 2023-07-06 | — | — | US | disclosed |
| WO-2009143018-A2 | COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR | PLEXXIKON, INC. (US) | 2009-11-26 | — | — | WO | disclosed |