⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19990 | 0.87 | — | — | |
| Methane SCHEMBL11883735 | 0.80 | — | — | |
| Phosphoric Acid SCHEMBL16774624 | 0.71 | MMP1 (0.39) | — | |
| SCHEMBL27973660 | 0.71 | — | — | |
| SCHEMBL27265006 | 0.69 | — | — | |
| SCHEMBL2099973 | 0.69 | — | — | |
| Diethylamine SCHEMBL27546656 | 0.65 | — | — | |
| Magnesium Chloride Anhydrous SCHEMBL28044732 | 0.65 | — | — | |
| SCHEMBL10887847 | 0.65 | — | — | |
| Methylethylamine SCHEMBL28044648 | 0.65 | — | — |
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-105189477-A | Process for preparing n-substituted 1h-pyrazole-5-carboxylic acid compounds and derivatives thereof | BASF SE | 2015-12-23 | — | — | CN | disclosed |