⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9475047 | 0.85 | — | — | |
| SCHEMBL5569190 | 0.79 | — | — | |
| SCHEMBL2456317 | 0.79 | — | — | |
| SCHEMBL27996406 | 0.75 | — | — | |
| SCHEMBL28174561 | 0.75 | — | — | |
| SCHEMBL6236494 | 0.71 | — | — | |
| Methane SCHEMBL3446774 | 0.70 | — | — | |
| SCHEMBL27531037 | 0.70 | — | — | |
| SCHEMBL1420702 | 0.70 | — | — | |
| SCHEMBL6025651 | 0.69 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023098759-A1 | DERIVATIVE OF CHIRAL α-AMINOPHOSPHONIC ACID AND PREPARATION METHOD THEREFOR | 西湖大学 | 2023-06-08 | — | — | WO | claimed |
| WO-2023098759-A1 | DERIVATIVE OF CHIRAL α-AMINOPHOSPHONIC ACID AND PREPARATION METHOD THEREFOR | 西湖大学 | 2023-06-08 | — | — | WO | disclosed |
| CN-103694297-A | Synthesis method for increasing ginsenoside M1 and decanoylchloride monoesterification selectivity | DALIAN JIEXIN BIOLOG SCIENCE & TECHNOLOGY CO LTD | 2014-04-02 | — | — | CN | disclosed |