⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL38652799 | 0.97 | — | — | |
| SCHEMBL3388009 | 0.97 | — | — | |
| Methyl Alcohol SCHEMBL10981963 | 0.95 | CA2 (0.33) | — | |
| SCHEMBL7590843 | 0.76 | — | — | |
| Methane SCHEMBL28070464 | 0.75 | — | — | |
| SCHEMBL12796401 | 0.74 | CHRM2 (0.43) | — | |
| SCHEMBL14321916 | 0.72 | — | — | |
| SCHEMBL12060575 | 0.69 | CA2 (0.39) | — | |
| SCHEMBL712586 | 0.69 | — | — | |
| SCHEMBL14180891 | 0.69 | CA2 (0.31) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090283713-A1 | ENVIRONMENTALLY BENIGN ANTI-ICING OR DEICING FLUIDS EMPLOYING INDUSTRIAL STREAMS COMPRISING HYDROXYCARBOXYLIC ACID SALTS AND/OR OTHER EFFECTIVE DEICING/ANTI-ICING AGENTS | SAPIENZA RICHARD | 2009-11-19 | — | — | US | claimed |
| EP-1678158-A1 | PROCESS FOR THE PREPARATION OF GLYCERALDEHYDE ACETONIDE | DSM IP Assets B.V. (NL) | 2006-07-12 | — | — | EP | claimed |
| WO-2005040149-A1 | PROCESS FOR THE PREPARATION OF GLYCERALDEHYDE ACETONIDE | DSM IP ASSETS B.V. (NL) | 2005-05-06 | — | — | WO | claimed |
| US-20090054613-A1 | FAST DRYING POLYURETHANE COMPOSITION | RHODIA, INC. (US) | 2009-02-26 | — | — | US | disclosed |
| WO-2006007450-A2 | DETECTION, EVALUATION AND TREATMENT FOR ADVANCED PROSTATE CANCER | THE TEXAS A & M UNIVERSITY SYSTEM (US) | 2006-01-19 | — | — | WO | disclosed |
| US-5002961-A | Antiischemic Agents, Preventing Reperfusion Injuries | MERRELL DOW PHARMACEUTICALS (US) | 1991-03-26 | — | — | US | disclosed |