⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13130521 | 1.00 | — | — | |
| SCHEMBL7376 | 1.00 | — | — | |
| SCHEMBL19030636 | 1.00 | ALDH1A1 (0.46) | — | |
| SCHEMBL7639307 | 0.95 | — | — | |
| Methyl Alcohol SCHEMBL6901545 | 0.95 | — | — | |
| Isopropyl Alcohol SCHEMBL5482275 | 0.95 | — | — | |
| SCHEMBL5456444 | 0.95 | — | — | |
| SCHEMBL15674804 | 0.95 | — | — | |
| SCHEMBL31406917 | 0.95 | ALDH1A1 (0.42) | — | |
| SCHEMBL31255936 | 0.95 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2894186-A1 | Disintegrable porous organometaloxide material | Université de Strasbourg (FR) | 2015-07-15 | — | — | EP | disclosed |
| EP-1778651-B1 | MULTIVALENT CHELATORS FOR MODIFYING AND ORGANIZING OF TARGET MOLECULES | UNIV JW GOETHE FRANKFURT MAIN (DE) | 2013-09-04 | — | — | EP | disclosed |
| US-20030045710-A1 | Methods for identifying, obtaining and using new polyketide compounds | NATIONAL SCIENCE FOUNDATION | 2003-03-06 | — | — | US | disclosed |