⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL67968 | 0.97 | — | — | |
| Water SCHEMBL28098685 | 0.93 | — | — | |
| SCHEMBL9718210 | 0.93 | TSHR (0.37) | — | |
| Hydrochloric Acid SCHEMBL28181815 | 0.93 | — | — | |
| SCHEMBL27968456 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL7937814 | 0.93 | TSHR (0.37) | — | |
| Hydrochloric Acid SCHEMBL5702841 | 0.93 | TSHR (0.37) | — | |
| Ammonia Solution, Strong SCHEMBL28586237 | 0.93 | — | — | |
| SCHEMBL28535293 | 0.90 | TSHR (0.36) | — | |
| Hydrochloric Acid SCHEMBL5165959 | 0.90 | TSHR (0.35) | — |
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-114621542-B | Fluororubber composition containing silane fluorine ester | 江苏千富之丰科技有限公司 | 2023-04-07 | — | — | CN | disclosed |
| CN-114621542-A | Fluororubber composition containing silane fluorine ester | 江苏千富之丰科技有限公司 | 2022-06-14 | — | — | CN | disclosed |