⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1272671 | 0.72 | — | — | |
| Methylamine SCHEMBL27298475 | 0.71 | ALDH1A1 (0.38) | — | |
| SCHEMBL6439109 | 0.69 | — | — | |
| SCHEMBL7074849 | 0.69 | — | — | |
| SCHEMBL24894481 | 0.67 | — | — | |
| Sulfuric Acid SCHEMBL951532 | 0.67 | KDM4E (0.36) | — | |
| SCHEMBL20053896 | 0.67 | — | — | |
| SCHEMBL6682743 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL22691758 | 0.67 | — | — | |
| SCHEMBL2893660 | 0.67 | ALDH1A1 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3681504-A1 | METHODS OF DETECTION USING X-RAY FLUORESCENCE | Icagen, Inc. (US) | 2020-07-22 | — | — | EP | disclosed |
| WO-2019055754-A1 | METHODS OF DETECTION USING X-RAY FLUORESCENCE | ICAGEN, INC. (US) | 2019-03-21 | — | — | WO | disclosed |