⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20646071 | 0.77 | CYP2C19 (0.31) | — | |
| SCHEMBL20645990 | 0.74 | CES2 (0.40) | — | |
| SCHEMBL20640975 | 0.74 | CES2 (0.40) | — | |
| SCHEMBL1971815 | 0.72 | LMNA (0.30) | — | |
| SCHEMBL14289293 | 0.70 | CES2 (0.40) | — | |
| SCHEMBL28920055 | 0.69 | ALDH1A1 (0.30) | — | |
| SCHEMBL31376565 | 0.69 | ALDH1A1 (0.30) | — | |
| SCHEMBL2422805 | 0.68 | MET (0.33) | — | |
| SCHEMBL9507620 | 0.67 | ALDH1A1 (0.30) | — | |
| SCHEMBL9506615 | 0.67 | GSK3B (0.32) | — |
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-115466284-A | Halogenated phosphite ester containing branched chain, preparation method and application thereof | 恒大新能源技术(深圳)有限公司 | 2022-12-13 | — | — | CN | disclosed |
| CN-115448947-A | Halogenated phosphate containing branched chain, preparation method and application thereof | 恒大新能源技术(深圳)有限公司 | 2022-12-09 | — | — | CN | disclosed |