⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21443828 | 0.88 | S100A4 (0.43) | — | |
| SCHEMBL5115934 | 0.74 | — | — | |
| SCHEMBL7934030 | 0.72 | S100A4 (0.39) | — | |
| SCHEMBL11418036 | 0.70 | CES2 (0.38) | — | |
| SCHEMBL7996762 | 0.69 | S100A4 (0.36) | — | |
| SCHEMBL2599340 | 0.69 | S100A4 (1.00) | — | |
| SCHEMBL31237472 | 0.69 | S100A4 (1.00) | — | |
| SCHEMBL11684357 | 0.64 | S100A4 (0.32) | — | |
| SCHEMBL4425111 | 0.61 | — | — | |
| SCHEMBL2122362 | 0.61 | — | — |
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-20110118459-A1 | HIGH PERFORMANCE LUMINESCENT COMPOUNDS | UNIVERSITY OF NOTRE DAME DU LAC (US) | 2011-05-19 | — | — | US | disclosed |
| US-20040232813-A1 | Electronic display-use filter and electronic display unit using the filter | MITSUBISHI CHEMICAL CORPORATION (JP) | 2004-11-25 | — | — | US | disclosed |