⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22488262 | 0.83 | NCF1 (0.43) | — | |
| SCHEMBL23811229 | 0.82 | — | — | |
| SCHEMBL17752779 | 0.80 | HTR2A (0.38) | — | |
| SCHEMBL16133701 | 0.78 | THRA (0.30) | — | |
| SCHEMBL20842258 | 0.75 | NCF1 (0.50) | — | |
| SCHEMBL24463855 | 0.75 | ATM (0.32) | — | |
| SCHEMBL12049768 | 0.72 | ALDH1A1 (0.30) | — | |
| SCHEMBL22389134 | 0.70 | — | — | |
| SCHEMBL12885856 | 0.70 | — | — | |
| SCHEMBL12885855 | 0.70 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230365592-A1 | COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS | AGIOS PHARMACEUTICALS, INC. | 2023-11-16 | — | — | US | disclosed |
| US-20230365592-A1 | COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS | AGIOS PHARMACEUTICALS, INC. | 2023-11-16 | — | — | US | disclosed |
| EP-3497093-B1 | SULFONYL PYRIDYL TRP INHIBITORS | HOFFMANN LA ROCHE (CH) | 2021-09-15 | — | — | EP | disclosed |
| WO-2019244000-A1 | PHENYL AND PYRIDINYL SUBSTITUTED IMIDAZOLES AS MODULATORS OF RORYT | JANSSEN PHARMACEUTICA NV (BE) | 2019-12-26 | — | — | WO | disclosed |