⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11784861 | 0.76 | CA1 (0.33) | — | |
| SCHEMBL7217639 | 0.74 | TDP1 (0.30) | — | |
| SCHEMBL11868023 | 0.73 | MEN1 (0.37) | — | |
| SCHEMBL438855 | 0.72 | — | — | |
| SCHEMBL24872817 | 0.69 | — | — | |
| SCHEMBL6032822 | 0.68 | — | — | |
| SCHEMBL30462520 | 0.68 | DPP4 (0.35) | — | |
| SCHEMBL10489632 | 0.67 | — | — | |
| SCHEMBL29707512 | 0.66 | DPP4 (0.33) | — | |
| SCHEMBL997522 | 0.66 | DPP4 (0.33) | — |
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-108047273-A | The preparation method and application of liquid phosphite class compound | 西尼尔（江西）化工科技有限公司 | 2018-05-18 | — | — | CN | disclosed |