⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21510 | 0.97 | — | — | |
| Water SCHEMBL28104109 | 0.97 | — | — | |
| Ammonia Solution, Strong SCHEMBL10534296 | 0.94 | — | — | |
| SCHEMBL3894439 | 0.94 | — | — | |
| SCHEMBL27699102 | 0.94 | TP53 (0.48) | — | |
| SCHEMBL3890046 | 0.94 | — | — | |
| SCHEMBL3419974 | 0.94 | — | — | |
| SCHEMBL3400758 | 0.94 | — | — | |
| SCHEMBL3889590 | 0.94 | — | — | |
| SCHEMBL27654074 | 0.94 | — | — |
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-109912487-A | A method of synthesis -1 hydrogen of 1- p-toluenesulfonyl -2- vinyl-pyrroles | 山东理工大学 | 2019-06-21 | — | — | CN | disclosed |
| CN-1009197-B | Process for preparing N, 3-disubstituted 2-oxindole-1-carboxamides | PFIZER (US) | 1990-08-15 | — | — | CN | disclosed |
| CN-85103527-A | Preparation N, the method for the disubstituted 2-hydroxyindole of 3--1-hydroxyalkyl cooh amide | — | 1987-01-28 | — | — | CN | disclosed |