⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2898289 | 0.80 | CA12 (0.35) | — | |
| SCHEMBL79520 | 0.79 | KDM4E (0.36) | — | |
| SCHEMBL4432960 | 0.79 | PTPN1 (0.38) | — | |
| SCHEMBL7931609 | 0.71 | CYP2C19 (0.33) | — | |
| SCHEMBL5576207 | 0.66 | PKM (0.40) | — | |
| SCHEMBL9479020 | 0.63 | MT-CO2 (0.50) | — | |
| SCHEMBL1834304 | 0.62 | PKM (0.36) | — | |
| SCHEMBL896334 | 0.60 | ALDH1A1 (0.39) | — | |
| SCHEMBL1832039 | 0.60 | PKM (0.38) | — | |
| SCHEMBL19714964 | 0.59 | — | — |
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-2007100905-A2 | ACRYLOYLOXYETHYLPHOSPHORYLCHOLINE CONTAINING POLYMER CONJUGATES AND THEIR PREPARATION | NEXGEN THERAPEUTICS, LLC (US) | 2007-09-07 | — | — | WO | disclosed |