⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25808031 | 0.79 | KDM4C (0.47) | — | |
| SCHEMBL28278981 | 0.76 | CYP1A2 (0.65) | — | |
| SCHEMBL7615209 | 0.75 | CA1 (0.68) | — | |
| SCHEMBL8051979 | 0.75 | — | — | |
| SCHEMBL110531 | 0.75 | CA1 (0.60) | — | |
| SCHEMBL35996 | 0.73 | — | — | |
| SCHEMBL10898287 | 0.73 | — | — | |
| SCHEMBL14350722 | 0.73 | CA1 (0.57) | — | |
| SCHEMBL276784 | 0.73 | — | — | |
| SCHEMBL285223 | 0.73 | GABRP (0.62) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117763266-A | Mixed gas saturated vapor pressure calculation method | 西安近代化学研究所 | 2024-03-26 | — | — | CN | claimed |
| CN-117763266-A | Mixed gas saturated vapor pressure calculation method | 西安近代化学研究所 | 2024-03-26 | — | — | CN | disclosed |
| CN-115043711-B | Preparation method of perfluoro-n-propyl vinyl ether | 三明市海斯福化工有限责任公司 | 2024-02-09 | — | — | CN | disclosed |
| CN-116741432-A | Insulating mixed gas and application thereof | 西安近代化学研究所 | 2023-09-12 | — | — | CN | disclosed |
| CN-116092724-A | Low GWP (Global warming potential) insulating mixed gas for replacing sulfur hexafluoride and application thereof | 西安近代化学研究所 | 2023-05-09 | — | — | CN | disclosed |
| CN-115810406-A | SF6 substitute gas searching method | 西安近代化学研究所 | 2023-03-17 | — | — | CN | disclosed |
| WO-2010053550-A2 | CXCR4 RECEPTOR COMPOUNDS | ANCHOR THERAPEUTICS, INC. (US) | 2010-05-14 | — | — | WO | disclosed |