⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7053637 | 0.81 | MEN1 (0.31) | — | |
| SCHEMBL5512970 | 0.80 | ALDH1A1 (0.40) | — | |
| SCHEMBL5512969 | 0.80 | ALDH1A1 (0.40) | — | |
| SCHEMBL6911448 | 0.79 | ALDH1A1 (0.30) | — | |
| SCHEMBL6914757 | 0.79 | ALDH1A1 (0.36) | — | |
| SCHEMBL7049816 | 0.79 | ALDH1A1 (0.36) | — | |
| SCHEMBL7053644 | 0.79 | ALDH1A1 (0.31) | — | |
| SCHEMBL6906678 | 0.78 | MAPT (0.41) | — | |
| SCHEMBL6906675 | 0.78 | MAPT (0.41) | — | |
| SCHEMBL13088507 | 0.78 | MAPT (0.41) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0767809-B1 | CURE-INDICATING MOLDING AND COATING COMPOSITION | MINNESOTA MINING & MFG (US) | 2004-01-21 | — | — | EP | disclosed |
| EP-0768860-B1 | DENTAL IMPRESSION MATERIAL WITH CURE-INDICATING DYE | MINNESOTA MINING & MFG (US) | 2003-04-23 | — | — | EP | disclosed |
| EP-0768860-A2 | DENTAL IMPRESSION MATERIAL WITH CURE-INDICATING DYE | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1997-04-23 | — | — | EP | disclosed |
| EP-0767809-A2 | CURE-INDICATING MOLDING AND COATING COMPOSITION | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1997-04-16 | — | — | EP | disclosed |
| US-5583178-A | ADDITION POLYMER AND A CURE INDICATING DYE | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1996-12-10 | — | — | US | disclosed |
| WO-1996000560-A2 | DENTAL IMPRESSION MATERIAL WITH CURE-INDICATING DYE | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1996-01-11 | — | — | WO | disclosed |
| WO-1996000745-A2 | CURE-INDICATING MOLDING AND COATING COMPOSITION | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1996-01-11 | — | — | WO | disclosed |