Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27776532 | 0.82 | — | — | |
| SCHEMBL1092237 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL28612889 | 0.80 | — | — | |
| SCHEMBL1476808 | 0.80 | — | — | |
| Bromide SCHEMBL28462641 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL27797868 | 0.80 | — | — | |
| Iodide SCHEMBL29238249 | 0.80 | — | — | |
| Acetic Acid SCHEMBL27796375 | 0.79 | — | — | |
| SCHEMBL28340277 | 0.74 | — | — | |
| SCHEMBL30464640 | 0.73 | PTPN11 (0.31) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116003349-A | Method for promoting separation of epoxypropane and alkane by using ionic liquid solvent | 中国石油化工股份有限公司 | 2023-04-25 | — | — | CN | disclosed |