⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL33042 | 0.89 | — | — | |
| SCHEMBL627363 | 0.89 | — | — | |
| SCHEMBL14616085 | 0.74 | — | — | |
| SCHEMBL27456158 | 0.74 | — | — | |
| SCHEMBL9353011 | 0.69 | — | — | |
| SCHEMBL16841640 | 0.69 | — | — | |
| SCHEMBL7723851 | 0.69 | — | — | |
| SCHEMBL8052053 | 0.67 | — | — | |
| SCHEMBL1959816 | 0.66 | — | — | |
| SCHEMBL14890985 | 0.66 | — | — |
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-114507508-B | Application of heat pump mixed working medium | 浙江大学 | 2023-03-21 | — | — | CN | claimed |
| CN-114507508-B | Application of heat pump mixed working medium | 浙江大学 | 2023-03-21 | — | — | CN | disclosed |