⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL150861 | 0.97 | TSHR (0.63) | — | |
| SCHEMBL28726889 | 0.97 | TSHR (0.63) | — | |
| SCHEMBL10939058 | 0.97 | TSHR (0.63) | — | |
| SCHEMBL6901731 | 0.97 | TSHR (0.63) | — | |
| SCHEMBL3446904 | 0.92 | — | — | |
| Stearic Acid SCHEMBL22159918 | 0.87 | GPR84 (0.71) | — | |
| SCHEMBL14424072 | 0.85 | PPARG (0.60) | — | |
| Glutarate SCHEMBL899114 | 0.84 | AKR1B1 (0.62) | — | |
| SCHEMBL3915601 | 0.83 | PPARG (0.58) | — | |
| Adipic Acid SCHEMBL4019320 | 0.82 | LMNA (0.79) | — |
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-11911954-B2 | Method for manufacturing a three-dimensional object | SOLVAY SPECIALTY POLYMERS USA, LLC (US) | 2024-02-27 | — | — | US | disclosed |
| US-20160075732-A1 | RADICAL ORBITAL SWITCHING | THE AUSTRALIAN NATIONAL UNIVERSITY (AU) | 2016-03-17 | — | — | US | disclosed |
| WO-2014121327-A1 | RADICAL ORBITAL SWITCHING | THE AUSTRALIAN NATIONAL UNIVERSITY (AU) | 2014-08-14 | — | — | WO | disclosed |
| US-7544438-B2 | Electron mediator, electron mediator immobilized electrode, and biofuel cell using the electrode | DAIICHI PURE CHEMICALS CO., LTD (JP) | 2009-06-09 | — | — | US | disclosed |