⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1865885 | 0.71 | PTGS1 (0.37) | — | |
| SCHEMBL1865884 | 0.71 | PTGS1 (0.37) | — | |
| SCHEMBL5998620 | 0.69 | — | — | |
| SCHEMBL9022026 | 0.69 | — | — | |
| SCHEMBL210276 | 0.69 | — | — | |
| SCHEMBL167103 | 0.69 | — | — | |
| SCHEMBL9715669 | 0.69 | MCL1 (0.33) | — | |
| SCHEMBL25289717 | 0.67 | — | — | |
| SCHEMBL82522 | 0.67 | — | — | |
| SCHEMBL4650430 | 0.67 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004074929-A2 | RADIATION-SENSITIVE COMPOSITIONS AND IMAGEABLE ELEMENTS BASED THEREON | KODAK POLYCHROME GRAPHICS GMBH (DE) | 2004-09-02 | — | — | WO | disclosed |