⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28289569 | 0.75 | PTPN1 (0.31) | — | |
| SCHEMBL2814422 | 0.73 | — | — | |
| SCHEMBL2812497 | 0.72 | — | — | |
| SCHEMBL27880014 | 0.71 | — | — | |
| SCHEMBL27548708 | 0.68 | BTN3A1 (0.36) | — | |
| SCHEMBL1674877 | 0.67 | LPAR2 (0.34) | — | |
| SCHEMBL22126695 | 0.67 | — | — | |
| SCHEMBL9622559 | 0.66 | HPGD (0.46) | — | |
| SCHEMBL27575483 | 0.65 | FNTA (0.50) | — | |
| SCHEMBL2846018 | 0.64 | — | — |
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-109627262-A | Tolysulfonyl oxygen methylmethylene ethyl diphosphonic acid and preparation method thereof, impurity of tenofovir and preparation method thereof | 黄石福尔泰医药科技有限公司 | 2019-04-16 | — | — | CN | claimed |