⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10794029 | 0.78 | — | — | |
| SCHEMBL20151 | 0.78 | — | — | |
| Bicarbonate SCHEMBL8018961 | 0.76 | LMNA (0.41) | — | |
| Bicarbonate SCHEMBL9619202 | 0.76 | — | — | |
| Bicarbonate SCHEMBL7685602 | 0.76 | LMNA (0.41) | — | |
| Nitrous Acid SCHEMBL7088089 | 0.75 | — | — | |
| Propene SCHEMBL27593070 | 0.74 | — | — | |
| Hydrogen Sulfide SCHEMBL8388170 | 0.73 | — | — | |
| Ethylene SCHEMBL20495559 | 0.73 | — | — | |
| SCHEMBL31681679 | 0.73 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1216268-B1 | POLYMERIC PHOSPHITE COMPOSITION AND HYDROCYANATION OF UNSATURATED ORGANIC COMPOUNDS AND THE ISOMERIZATION OF UNSATURATED NITRILES | DU PONT (US) | 2003-11-12 | — | — | EP | disclosed |