⚠ 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 | |
|---|---|---|---|---|
| Methyl Alcohol SCHEMBL16568700 | 0.73 | MEN1 (0.31) | — | |
| SCHEMBL898668 | 0.72 | — | — | |
| SCHEMBL4649034 | 0.70 | — | — | |
| SCHEMBL22653550 | 0.70 | — | — | |
| SCHEMBL23432304 | 0.70 | — | — | |
| SCHEMBL4864717 | 0.69 | — | — | |
| SCHEMBL11367848 | 0.69 | TSHR (0.39) | — | |
| SCHEMBL18227967 | 0.67 | NOS3 (0.31) | — | |
| SCHEMBL18927562 | 0.65 | — | — | |
| SCHEMBL25227879 | 0.65 | TDP1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2550063-A1 | ALR2 INHIBITORS AND THEIR SYNTHESIS FROM A NATURAL SOURCE | Council of Scientific & Industrial Research (IN) | 2013-01-30 | — | — | EP | disclosed |