⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL562875 | 0.97 | — | — | |
| Water SCHEMBL28132242 | 0.93 | — | — | |
| SCHEMBL17368129 | 0.84 | TSHR (0.35) | — | |
| SCHEMBL10946943 | 0.79 | — | — | |
| SCHEMBL575119 | 0.79 | — | — | |
| SCHEMBL13020584 | 0.77 | TSHR (0.36) | — | |
| SCHEMBL18650119 | 0.75 | — | — | |
| SCHEMBL575486 | 0.75 | FAAH (0.45) | — | |
| SCHEMBL25682984 | 0.73 | — | — | |
| SCHEMBL2992411 | 0.73 | LMNA (0.38) | — |
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-109879909-B | Preparation method of dialkyl phosphinate with large particle size | 清远市普塞呋磷化学有限公司 | 2021-10-01 | — | — | CN | disclosed |