⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL276733 | 0.82 | — | — | |
| SCHEMBL11040223 | 0.75 | TSHR (0.37) | — | |
| SCHEMBL10999837 | 0.73 | TSHR (0.42) | — | |
| SCHEMBL11775800 | 0.73 | TSHR (0.42) | — | |
| SCHEMBL18077303 | 0.73 | TSHR (0.42) | — | |
| SCHEMBL11042117 | 0.73 | TSHR (0.42) | — | |
| SCHEMBL1172486 | 0.72 | TSHR (0.38) | — | |
| Hexane SCHEMBL3859675 | 0.72 | TSHR (0.44) | — | |
| Pentane SCHEMBL27352110 | 0.72 | TSHR (0.47) | — | |
| Pentane SCHEMBL27995061 | 0.72 | TSHR (0.47) | — |
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-103833991-B | A kind of two-dimentional conjugated polymer replaced containing sulfur, its preparation method and application thereof | 中国科学院化学研究所 | 2016-07-06 | — | — | CN | disclosed |
| CN-103833991-A | Sulfur-containing substituted two-dimensional conjugated polymer as well as preparation method and application thereof | CHINESE ACAD INST CHEMISTRY | 2014-06-04 | — | — | CN | disclosed |