⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10525623 | 0.76 | TSHR (0.42) | — | |
| SCHEMBL995740 | 0.74 | — | — | |
| SCHEMBL28132039 | 0.74 | TSHR (0.36) | — | |
| SCHEMBL27450904 | 0.74 | TSHR (0.37) | — | |
| SCHEMBL10928522 | 0.73 | — | — | |
| SCHEMBL6848203 | 0.73 | — | — | |
| SCHEMBL17229183 | 0.73 | — | — | |
| SCHEMBL11473960 | 0.73 | — | — | |
| SCHEMBL7446961 | 0.73 | — | — | |
| SCHEMBL7710339 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2426492-A1 | AGENT FOR RESOLUTION OF OPTICAL ISOMER | Daicel Chemical Industries, Ltd. (JP) | 2012-03-07 | — | — | EP | disclosed |