⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5483027 | 0.92 | — | — | |
| SCHEMBL314734 | 0.82 | — | — | |
| SCHEMBL10628467 | 0.77 | TSHR (0.46) | — | |
| SCHEMBL9821419 | 0.77 | — | — | |
| SCHEMBL875560 | 0.76 | — | — | |
| SCHEMBL875559 | 0.76 | — | — | |
| SCHEMBL30955 | 0.76 | — | — | |
| SCHEMBL735058 | 0.75 | — | — | |
| SCHEMBL22069833 | 0.74 | EP300 (0.34) | — | |
| SCHEMBL22069832 | 0.74 | EP300 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-108440595-A | A kind of room temperature quaternary phosphonium salt ionic liquid and preparation method thereof | 中国日用化学研究院有限公司 | 2018-08-24 | — | — | CN | disclosed |
| US-20110123609-A1 | MULTIPLE UNIT DOSAGE FORM OF NIACIN | LUPIN LIMITED (IN) | 2011-05-26 | — | — | US | disclosed |
| WO-2010010579-A1 | MULTIPLE UNIT DOSAGE FORM OF NIACIN | LUPIN LIMITED (IN) | 2010-01-28 | — | — | WO | disclosed |