⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8197758 | 0.73 | TSHR (0.38) | — | |
| SCHEMBL1472446 | 0.72 | TSHR (0.31) | — | |
| SCHEMBL1985529 | 0.71 | — | — | |
| Potassium Ion SCHEMBL28654250 | 0.69 | — | — | |
| SCHEMBL4595567 | 0.67 | TSHR (0.33) | — | |
| SCHEMBL7970718 | 0.67 | — | — | |
| SCHEMBL28176101 | 0.65 | — | — | |
| SCHEMBL8384135 | 0.65 | — | — | |
| SCHEMBL11424135 | 0.65 | — | — | |
| SCHEMBL3103977 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023081812-A2 | AKT3 MODULATORS | GEORGIAMUNE LLC (US) | 2023-05-11 | — | — | WO | disclosed |
| US-20140018377-A1 | Aminopropenoates as Fungicides | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2014-01-16 | — | — | US | disclosed |
| US-8476197-B2 | Aminopropenoates as fungicides | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2013-07-02 | — | — | US | disclosed |
| US-20110152322-A1 | Aminopropenoates as Fungicides | BAYER CROPSCIENCE AG (DE) | 2011-06-23 | — | — | US | disclosed |