⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27007187 | 0.90 | MAPK1 (0.31) | — | |
| SCHEMBL30837138 | 0.81 | — | — | |
| SCHEMBL27007128 | 0.79 | EGLN1 (0.33) | — | |
| SCHEMBL29940622 | 0.79 | — | — | |
| SCHEMBL29154678 | 0.77 | CES2 (0.33) | — | |
| SCHEMBL27007191 | 0.76 | EGLN1 (0.35) | — | |
| SCHEMBL27007239 | 0.75 | MAPK1 (0.31) | — | |
| SCHEMBL27007177 | 0.75 | CYP1A2 (0.33) | — | |
| SCHEMBL27007179 | 0.75 | NR4A2 (0.34) | — | |
| SCHEMBL29940818 | 0.72 | FAAH (0.44) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4359012-A1 | SYSTEMS AND METHODS FOR GENERATION OF HYPERPOLARIZED MATERIALS | NVision Imaging Technologies GmbH (DE) | 2024-05-01 | — | — | EP | disclosed |
| EP-4313174-A1 | SYSTEMS AND METHOD FOR GENERATION OF HYPERPOLARIZED MATERIALS | NVision Imaging Technologies GmbH (DE) | 2024-02-07 | — | — | EP | disclosed |
| WO-2022269350-A1 | SYSTEMS AND METHODS FOR GENERATION OF HYPERPOLARIZED MATERIALS | NVISION IMAGING TECHNOLOGIES GMBH (DE) | 2022-12-29 | — | — | WO | disclosed |
| WO-2022200859-A1 | SYSTEMS AND METHOD FOR GENERATION OF HYPERPOLARIZED MATERIALS | NVision Imaging Technolgies GmbH (DE) | 2022-09-29 | — | — | WO | disclosed |