⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13040397 | 0.89 | — | — | |
| SCHEMBL1299494 | 0.89 | — | — | |
| SCHEMBL13181354 | 0.89 | — | — | |
| SCHEMBL13652393 | 0.89 | — | — | |
| SCHEMBL11792954 | 0.85 | CA1 (0.31) | — | |
| SCHEMBL27479827 | 0.83 | ADH1A (0.33) | — | |
| SCHEMBL24618702 | 0.83 | ADH1C (0.31) | — | |
| SCHEMBL17646463 | 0.80 | — | — | |
| SCHEMBL20574346 | 0.76 | ADH1A (0.34) | — | |
| SCHEMBL16577430 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101248393-A | Developer for photosensitive lithographic printing plate and processing method | KONICA MINOLTA MED & GRAPHIC (JP) | 2008-08-20 | — | — | CN | disclosed |