⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3223755 | 0.82 | — | — | |
| SCHEMBL6420045 | 0.82 | — | — | |
| SCHEMBL306645 | 0.82 | — | — | |
| SCHEMBL11176563 | 0.67 | — | — | |
| SCHEMBL9328450 | 0.67 | — | — | |
| Hydrogen Sulfide SCHEMBL6003929 | 0.67 | — | — | |
| SCHEMBL8587576 | 0.67 | — | — | |
| SCHEMBL10818653 | 0.67 | — | — | |
| SCHEMBL621916 | 0.67 | — | — | |
| SCHEMBL306749 | 0.67 | — | — |
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-114111156-B | Modularized low-temperature refrigeration system device and construction method | 清华大学 | 2022-12-06 | — | — | CN | disclosed |
| CN-114111156-A | Modular low-temperature refrigeration system device and building method | 清华大学 | 2022-03-01 | — | — | CN | disclosed |