⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3049765 | 0.97 | — | — | |
| SCHEMBL270569 | 0.73 | — | — | |
| SCHEMBL1437982 | 0.71 | — | — | |
| SCHEMBL28309521 | 0.71 | — | — | |
| SCHEMBL3051104 | 0.69 | — | — | |
| SCHEMBL16932027 | 0.69 | — | — | |
| SCHEMBL7969066 | 0.69 | — | — | |
| SCHEMBL10788991 | 0.67 | TSHR (0.43) | — | |
| SCHEMBL27974674 | 0.67 | TSHR (0.43) | — | |
| SCHEMBL6083518 | 0.67 | — | — |
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-1208035-A | Dithiolan derivatives, their preparation and their therapeutic effect | SANKYO CO (JP) | 1999-02-17 | — | — | CN | disclosed |