⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27007148 | 0.82 | NR4A2 (0.46) | — | |
| SCHEMBL27007191 | 0.71 | EGLN1 (0.35) | — | |
| SCHEMBL27007344 | 0.70 | L3MBTL1 (0.40) | — | |
| SCHEMBL27007128 | 0.69 | EGLN1 (0.33) | — | |
| SCHEMBL29940800 | 0.69 | — | — | |
| SCHEMBL27007217 | 0.69 | LDHA (0.33) | — | |
| SCHEMBL27007170 | 0.68 | NR4A2 (0.36) | — | |
| SCHEMBL27007162 | 0.67 | ESR1 (0.35) | — | |
| SCHEMBL27007187 | 0.66 | MAPK1 (0.31) | — | |
| SCHEMBL27007239 | 0.66 | MAPK1 (0.31) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118103077-A | System and method for producing hyperpolarized material | 预视成像科技有限责任公司 | 2024-05-28 | — | — | CN | disclosed |
| EP-4313174-A1 | SYSTEMS AND METHOD FOR GENERATION OF HYPERPOLARIZED MATERIALS | NVision Imaging Technologies GmbH (DE) | 2024-02-07 | — | — | EP | disclosed |
| WO-2022200859-A1 | SYSTEMS AND METHOD FOR GENERATION OF HYPERPOLARIZED MATERIALS | NVision Imaging Technolgies GmbH (DE) | 2022-09-29 | — | — | WO | disclosed |