⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25591746 | 0.82 | TSHR (0.37) | — | |
| SCHEMBL27014763 | 0.79 | — | — | |
| SCHEMBL16446348 | 0.77 | MAPK1 (0.33) | — | |
| SCHEMBL25591744 | 0.77 | MAPK1 (0.33) | — | |
| SCHEMBL29154676 | 0.75 | CTSK (0.36) | — | |
| SCHEMBL29154664 | 0.72 | CTSK (0.36) | — | |
| SCHEMBL29940805 | 0.72 | CTSK (0.36) | — | |
| SCHEMBL20816253 | 0.72 | TSHR (0.44) | — | |
| SCHEMBL27014877 | 0.72 | DGAT1 (0.30) | — | |
| SCHEMBL20816267 | 0.70 | ADRB2 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| CN-117529341-A | System and method for producing hyperpolarized material | 预视成像科技有限责任公司 | 2024-02-06 | — | — | CN | disclosed |