⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL44197 | 0.87 | — | — | |
| SCHEMBL27883313 | 0.87 | — | — | |
| SCHEMBL28285000 | 0.82 | — | — | |
| Methane SCHEMBL22749558 | 0.82 | — | — | |
| SCHEMBL27798770 | 0.82 | — | — | |
| Ethyne SCHEMBL7610107 | 0.82 | — | — | |
| Butadiene SCHEMBL10934316 | 0.78 | — | — | |
| SCHEMBL28072642 | 0.78 | — | — | |
| Bicarbonate SCHEMBL1469813 | 0.77 | — | — | |
| Benzene SCHEMBL28229669 | 0.75 | ALDH1A1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104918792-B | The method for preparing flexible letterpress mother matrix | 爱克发印艺公司 | 2017-09-05 | — | — | CN | disclosed |
| CN-104918792-A | Method of preparing a flexographic printing master | AGFA GRAPHICS NV | 2015-09-16 | — | — | CN | disclosed |