⚠ 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 | |
|---|---|---|---|---|
| Magnesium Chloride Anhydrous SCHEMBL28611419 | 0.72 | — | — | |
| Dimethylamine SCHEMBL4910341 | 0.72 | — | — | |
| Dimethylamine SCHEMBL28874924 | 0.72 | — | — | |
| Dimethylamine SCHEMBL5164633 | 0.71 | — | — | |
| Dimethylamine SCHEMBL392668 | 0.71 | — | — | |
| Magnesium Chloride Anhydrous SCHEMBL22979757 | 0.71 | — | — | |
| Dimethylamine SCHEMBL12415750 | 0.71 | — | — | |
| Dimethylamine SCHEMBL13695986 | 0.71 | — | — | |
| Dimethylamine SCHEMBL1030 | 0.71 | — | — | |
| Magnesium Chloride Anhydrous SCHEMBL3659990 | 0.71 | — | — |
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-113620869-B | Preparation method of betrixaban | 江西同和药业股份有限公司 | 2023-04-18 | — | — | CN | disclosed |
| CN-113620869-A | Preparation method of betrixaban | 江西同和药业股份有限公司 | 2021-11-09 | — | — | CN | disclosed |
| CN-105189477-A | Process for preparing n-substituted 1h-pyrazole-5-carboxylic acid compounds and derivatives thereof | BASF SE | 2015-12-23 | — | — | CN | disclosed |