⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2533168 | 0.77 | APP (0.42) | — | |
| SCHEMBL22202971 | 0.71 | CHRNB4 (0.31) | — | |
| SCHEMBL205838 | 0.69 | — | — | |
| SCHEMBL938957 | 0.67 | APP (0.61) | — | |
| SCHEMBL20138872 | 0.67 | CYP2A6 (0.47) | — | |
| SCHEMBL25490062 | 0.67 | KCNH2 (0.55) | — | |
| SCHEMBL22202978 | 0.67 | GRM5 (0.45) | — | |
| SCHEMBL22779082 | 0.65 | GRM5 (0.48) | — | |
| SCHEMBL3137970 | 0.65 | — | — | |
| SCHEMBL990765 | 0.65 | LMNA (0.44) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113150249-B | Dialkyne conjugated microporous polymer, preparation method and application thereof | 华中科技大学 | 2022-08-05 | — | — | CN | claimed |
| CN-113800998-B | Preparation method of (2-bromoethynyl) benzene compound | 浙江师范大学 | 2023-08-25 | — | — | CN | disclosed |
| CN-114437689-B | High-strength double-network micro-nano particle composite gel for plugging large pore channels of oil reservoirs and preparation method thereof | 中海石油(中国)有限公司 | 2023-05-16 | — | — | CN | disclosed |
| CN-113150249-B | Dialkyne conjugated microporous polymer, preparation method and application thereof | 华中科技大学 | 2022-08-05 | — | — | CN | disclosed |
| CN-114437689-A | High-strength double-network micro-nano particle composite gel for plugging large pore passages of oil reservoir and preparation method thereof | 中海石油(中国)有限公司 | 2022-05-06 | — | — | CN | disclosed |