⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18844904 | 0.79 | TSHR (0.40) | — | |
| SCHEMBL10256498 | 0.74 | — | — | |
| SCHEMBL28928286 | 0.74 | — | — | |
| SCHEMBL7745504 | 0.74 | — | — | |
| SCHEMBL18839968 | 0.74 | — | — | |
| SCHEMBL5718102 | 0.74 | — | — | |
| SCHEMBL4973354 | 0.72 | — | — | |
| SCHEMBL21632368 | 0.72 | — | — | |
| SCHEMBL32691321 | 0.72 | TSHR (0.43) | — | |
| SCHEMBL32691366 | 0.72 | TSHR (0.43) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0419283-B1 | Azlactone-functional silicon containing compounds and derivatives thereof | MINNESOTA MINING & MFG (US) | 1995-05-03 | — | — | EP | disclosed |
| US-5147957-A | Pressure sensitive adhesives, release agents, elastomers | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1992-09-15 | — | — | US | disclosed |
| EP-0419283-A2 | Azlactone-functional silicon containing compounds and derivatives thereof | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1991-03-27 | — | — | EP | disclosed |