⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1402638 | 0.95 | — | — | |
| SCHEMBL6844005 | 0.89 | TSHR (0.32) | — | |
| SCHEMBL28026764 | 0.84 | TSHR (0.34) | — | |
| SCHEMBL28026766 | 0.81 | — | — | |
| SCHEMBL2786912 | 0.81 | — | — | |
| SCHEMBL6846310 | 0.79 | TSHR (0.34) | — | |
| SCHEMBL4862415 | 0.79 | — | — | |
| SCHEMBL2768968 | 0.79 | — | — | |
| SCHEMBL28026763 | 0.78 | — | — | |
| SCHEMBL2786229 | 0.78 | CES2 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20030149230-A1 | Polythiol compound | MITSUI CHEMICALS, INC. (JP) | 2003-08-07 | — | — | US | disclosed |
| US-20020120097-A1 | Selenium-containing transparent optical material | OKAZAKI KOJU (JP) | 2002-08-29 | — | — | US | disclosed |