⚠ 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 | |
|---|---|---|---|---|
| Hydrogen Peroxide SCHEMBL16402637 | 0.83 | TSHR (0.38) | — | |
| SCHEMBL30185 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL27551349 | 0.79 | — | — | |
| SCHEMBL1576596 | 0.79 | — | — | |
| SCHEMBL170804 | 0.79 | — | — | |
| SCHEMBL750611 | 0.77 | — | — | |
| Bicarbonate SCHEMBL28747310 | 0.75 | CYP3A4 (0.38) | — | |
| SCHEMBL16402640 | 0.75 | TSHR (0.32) | — | |
| Ethylene SCHEMBL1302525 | 0.71 | — | — | |
| SCHEMBL463573 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-113024559-B | Preparation method of isoganciclovir | 上药康丽（常州）药业有限公司 | 2022-03-29 | — | — | CN | claimed |
| CN-113024559-B | Preparation method of isoganciclovir | 上药康丽（常州）药业有限公司 | 2022-03-29 | — | — | CN | disclosed |
| CN-113024559-A | Preparation method of isoganciclovir | 上药康丽（常州）药业有限公司 | 2021-06-25 | — | — | CN | disclosed |