⚠ 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 SCHEMBL1652117 | 0.85 | — | — | |
| Phosphoric Acid SCHEMBL11065427 | 0.85 | LAP3 (0.38) | — | |
| SCHEMBL10012397 | 0.81 | — | — | |
| Acrylamide SCHEMBL7754556 | 0.78 | ALDH1A1 (0.65) | — | |
| Allylamine SCHEMBL10877838 | 0.78 | — | — | |
| Allylamine SCHEMBL10775097 | 0.78 | ALDH1A1 (0.53) | — | |
| SCHEMBL7754609 | 0.78 | — | — | |
| SCHEMBL634685 | 0.76 | CA2 (0.46) | — | |
| SCHEMBL31402615 | 0.76 | CA2 (0.46) | — | |
| SCHEMBL2486859 | 0.76 | CA2 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001043710-A1 | MONOFLUORO PHOSPHORYLATED MACROMOLECULES | UNILEVER N.V. (NL) | 2001-06-21 | — | — | WO | disclosed |