⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7102329 | 0.75 | PIK3CD (0.38) | — | |
| SCHEMBL24504148 | 0.68 | ENO1 (0.53) | — | |
| SCHEMBL7101274 | 0.68 | ENO1 (0.53) | — | |
| SCHEMBL2081232 | 0.59 | CASP3 (0.31) | — | |
| SCHEMBL18077437 | 0.57 | ENO1 (0.49) | — | |
| SCHEMBL31731124 | 0.56 | — | — | |
| SCHEMBL19586648 | 0.55 | LPAR3 (0.46) | — | |
| SCHEMBL5331935 | 0.55 | BTN3A1 (0.36) | — | |
| SCHEMBL7149110 | 0.55 | ENO1 (0.32) | — | |
| SCHEMBL15056659 | 0.54 | CYP3A4 (0.36) | — |
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-1140952-B1 | ORGANO-PHOSPHORUS COMPOUNDS AND THEIR UTILIZATION | BIOAGENCY AG (DE) | 2003-09-03 | — | — | EP | disclosed |