⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9299182 | 0.72 | — | — | |
| SCHEMBL11566307 | 0.69 | — | — | |
| SCHEMBL22279883 | 0.67 | — | — | |
| SCHEMBL8936080 | 0.67 | — | — | |
| SCHEMBL7142904 | 0.64 | — | — | |
| SCHEMBL8329292 | 0.64 | — | — | |
| SCHEMBL5504195 | 0.63 | — | — | |
| SCHEMBL3673797 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL20420724 | 0.63 | MAOA (0.33) | — | |
| SCHEMBL1052073 | 0.61 | — | — |
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-2023141150-A1 | ALUMINUM-BASED COUPLING AGENTS | DITTHAVONG, STEINER, & MLOTKOWSKI (US) | 2023-07-27 | — | — | WO | disclosed |
| EP-2585205-A2 | SALT COMPOSITIONS AND EXPLOSIVES USING THE SAME | The Lubrizol Corporation (US) | 2013-05-01 | — | — | EP | disclosed |
| WO-2012047333-A2 | SALT COMPOSITIONS AND EXPLOSIVES USING THE SAME | THE LUBRIZOL CORPORATION (US) | 2012-04-12 | — | — | WO | disclosed |
| WO-2007017623-A1 | CLEANING COMPOSITIONS AND METHODS | RECKITT BENCKISER (UK) LIMITED (GB) | 2007-02-15 | — | — | WO | disclosed |