⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3287948 | 0.78 | — | — | |
| SCHEMBL6158892 | 0.67 | — | — | |
| SCHEMBL11263792 | 0.67 | TSHR (0.36) | — | |
| SCHEMBL5008831 | 0.64 | — | — | |
| SCHEMBL27862781 | 0.64 | — | — | |
| SCHEMBL27342896 | 0.62 | — | — | |
| SCHEMBL27484189 | 0.61 | PPARG (0.33) | — | |
| SCHEMBL27880208 | 0.61 | PPARG (0.33) | — | |
| SCHEMBL27863776 | 0.61 | PPARG (0.33) | — | |
| SCHEMBL5530307 | 0.60 | LTA4H (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20110053768-A1 | RECORDING MATERIAL FOR LASER MARKING | M-REAL OYJ (FI) | 2011-03-03 | — | — | US | disclosed |
| CN-100423952-C | Thermal recording material | FUJI PHOTO FILM CO LTD (JP) | 2008-10-08 | — | — | CN | disclosed |
| CN-1464842-A | Thermal recording material | FUJI PHOTO FILM CO LTD (JP) | 2003-12-31 | — | — | CN | disclosed |