⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL817110 | 0.97 | — | — | |
| Ethylene SCHEMBL3385945 | 0.92 | TSHR (0.48) | — | |
| SCHEMBL15260767 | 0.87 | TSHR (0.39) | — | |
| SCHEMBL15388541 | 0.87 | TSHR (0.39) | — | |
| SCHEMBL15388410 | 0.87 | TSHR (0.39) | — | |
| Ethylene Glycol SCHEMBL10891322 | 0.85 | ADRA2A (0.40) | — | |
| Trimethylammonium SCHEMBL27909146 | 0.85 | CHRM5 (0.39) | — | |
| SCHEMBL243060 | 0.84 | ADRA2A (0.43) | — | |
| SCHEMBL9841025 | 0.82 | NAAA (0.41) | — | |
| SCHEMBL6683309 | 0.81 | ADRA2A (0.42) | — |
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-113881517-A | Heat exchanger scale cleaning agent, preparation method and use method | 中国石油化工股份有限公司 | 2022-01-04 | — | — | CN | claimed |
| CN-113881517-A | Heat exchanger scale cleaning agent, preparation method and use method | 中国石油化工股份有限公司 | 2022-01-04 | — | — | CN | disclosed |