⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6237 | 0.79 | — | — | |
| SCHEMBL1407073 | 0.79 | CYP1A2 (0.33) | — | |
| Water SCHEMBL27735962 | 0.77 | DGAT1 (0.41) | — | |
| Methyl Alcohol SCHEMBL27796810 | 0.77 | DGAT1 (0.41) | — | |
| Methylamine SCHEMBL2149434 | 0.77 | DGAT1 (0.41) | — | |
| SCHEMBL13082029 | 0.77 | — | — | |
| Hydrazine SCHEMBL27796401 | 0.77 | DGAT1 (0.41) | — | |
| Methane SCHEMBL6175773 | 0.77 | DGAT1 (0.41) | — | |
| Nitrogen SCHEMBL28208778 | 0.75 | TDP1 (0.39) | — | |
| Benzene SCHEMBL27843637 | 0.73 | MEN1 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013092512-A1 | SUBSTITUTED BENZYLPYRAZOLES | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2013-06-27 | — | — | WO | disclosed |