⚠ 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 | |
|---|---|---|---|---|
| Formaldehyde SCHEMBL16758702 | 0.92 | — | — | |
| Water SCHEMBL3942297 | 0.89 | — | — | |
| SCHEMBL19638721 | 0.84 | — | — | |
| SCHEMBL3712659 | 0.83 | — | — | |
| Acetic Acid SCHEMBL302240 | 0.82 | — | — | |
| Oxalic Acid SCHEMBL17729888 | 0.81 | — | — | |
| Carbon Monoxide SCHEMBL5186128 | 0.81 | GPR84 (0.31) | — | |
| Thiocyanic Acid SCHEMBL454040 | 0.80 | CYP2A6 (0.32) | — | |
| SCHEMBL693302 | 0.78 | LMNA (0.30) | — | |
| Methyl Phosphonate SCHEMBL15575347 | 0.78 | CYP2C19 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2148836-A1 | METHOD FOR THE PREPARATION OF REACTIVE Ý18¨F FLUORIDE | Universite de Liege (BE) | 2010-02-03 | — | — | EP | claimed |
| WO-2008128306-A1 | METHOD FOR THE PREPARATION OF REACTIVE [18] F FLUORIDE | TRASIS S.A. (BE) | 2008-10-30 | — | — | WO | claimed |
| EP-1877153-A1 | FLUID STORAGE AND PURIFICATION METHOD AND SYSTEM | Matheson Tri-Gas (US) | 2008-01-16 | — | — | EP | disclosed |
| WO-2006110450-A1 | FLUID STORAGE AND PURIFICATION METHOD AND SYSTEM | MATHESON TRI-GAS (US) | 2006-10-19 | — | — | WO | disclosed |