⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2215390 | 0.76 | TSHR (0.39) | — | |
| SCHEMBL6931736 | 0.74 | — | — | |
| SCHEMBL14820781 | 0.74 | — | — | |
| SCHEMBL7679115 | 0.73 | TSHR (0.41) | — | |
| SCHEMBL3406705 | 0.73 | — | — | |
| SCHEMBL9047606 | 0.73 | — | — | |
| SCHEMBL9180142 | 0.72 | TSHR (0.33) | — | |
| SCHEMBL2108013 | 0.72 | — | — | |
| SCHEMBL31296281 | 0.72 | ADRB2 (0.41) | — | |
| SCHEMBL10706054 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108516984-A | It is a kind of to be used to detect fluorescence probe of cytimidine and preparation method thereof | 福建师范大学 | 2018-09-11 | — | — | CN | claimed |
| CN-108516984-A | It is a kind of to be used to detect fluorescence probe of cytimidine and preparation method thereof | 福建师范大学 | 2018-09-11 | — | — | CN | disclosed |