⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27908928 | 0.89 | GABRA5 (0.35) | — | |
| SCHEMBL28269462 | 0.81 | APLNR (0.57) | — | |
| SCHEMBL28101007 | 0.78 | APLNR (0.35) | — | |
| Alcohol SCHEMBL27824847 | 0.77 | — | — | |
| SCHEMBL30154499 | 0.74 | TDP1 (0.30) | — | |
| SCHEMBL9293 | 0.74 | — | — | |
| Cyclopentane SCHEMBL11787886 | 0.71 | ADH1B (0.32) | — | |
| Isopropyl Alcohol SCHEMBL2441841 | 0.71 | ALDH1A1 (0.38) | — | |
| Cyclopropane SCHEMBL11789277 | 0.71 | — | — | |
| Formic Acid SCHEMBL28091453 | 0.71 | ESR1 (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-110099912-A | Antiviral tenofovir aliphatic ester prodrug | 默沙东公司 | 2019-08-06 | — | — | CN | disclosed |