⚠ 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 | |
|---|---|---|---|---|
| Phosphoric Acid SCHEMBL7606255 | 0.85 | — | — | |
| SCHEMBL30827883 | 0.81 | — | — | |
| SCHEMBL28692129 | 0.81 | — | — | |
| SCHEMBL88352 | 0.76 | — | — | |
| SCHEMBL31402615 | 0.76 | CA2 (0.46) | — | |
| SCHEMBL2486859 | 0.76 | CA2 (0.46) | — | |
| SCHEMBL634685 | 0.76 | CA2 (0.46) | — | |
| Ethylene SCHEMBL9100450 | 0.72 | CA2 (0.36) | — | |
| SCHEMBL4275773 | 0.71 | — | — | |
| SCHEMBL8332638 | 0.71 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2001043710-A1 | MONOFLUORO PHOSPHORYLATED MACROMOLECULES | UNILEVER N.V. (NL) | 2001-06-21 | — | — | WO | disclosed |
| US-4020019-A | POLYETHYLENIMINE FLUOROPHOSPHATES | SOLDATI GIANLUIGI | 1977-04-26 | — | — | US | disclosed |