⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15915598 | 0.89 | — | — | |
| SCHEMBL15915214 | 0.87 | SHBG (0.32) | — | |
| SCHEMBL23392449 | 0.64 | — | — | |
| SCHEMBL28304633 | 0.62 | MEN1 (0.37) | — | |
| SCHEMBL28153563 | 0.61 | ALDH1A1 (0.42) | — | |
| SCHEMBL27961805 | 0.61 | — | — | |
| SCHEMBL439863 | 0.58 | — | — | |
| Hydrochloric Acid SCHEMBL15018418 | 0.56 | TSHR (0.31) | — | |
| Bromide SCHEMBL15018257 | 0.56 | TSHR (0.31) | — | |
| Hydrochloric Acid SCHEMBL29050718 | 0.56 | TSHR (0.31) | — |
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-101111509-B | Pyrimidine nucleoside compound or salt thereof | TAIHO PHARMACEUTICAL CO LTD | 2011-02-16 | — | — | CN | disclosed |
| CN-101111509-A | Novel pyrimidine nucleoside compound or salt thereof | TAIHO PHARMACEUTICAL CO LTD (JP) | 2008-01-23 | — | — | CN | disclosed |