⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28309095 | 0.81 | — | — | |
| Hydrazine SCHEMBL28089137 | 0.71 | ERN1 (0.31) | — | |
| SCHEMBL28348057 | 0.71 | — | — | |
| SCHEMBL1586647 | 0.70 | ALDH1A1 (0.33) | — | |
| SCHEMBL16373265 | 0.67 | ALDH1A1 (0.33) | — | |
| Formic Acid SCHEMBL28682501 | 0.67 | — | — | |
| SCHEMBL21052566 | 0.67 | IRAK4 (0.32) | — | |
| SCHEMBL27867751 | 0.67 | IRAK4 (0.36) | — | |
| SCHEMBL16692407 | 0.67 | — | — | |
| SCHEMBL2325696 | 0.65 | ALDH1A1 (0.31) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105753856-B | A kind of preparation and application of the difluoromethyl pyrazole class compound of the structure of oxadiazoles containing 1,3,4- | 南通大学 | 2019-01-22 | — | — | CN | disclosed |
| CN-105753856-A | Preparation and application of difluoromethyl pyrazole compound comprising 1,3,4-oxadiazole structure | 南通大学 | 2016-07-13 | — | — | CN | disclosed |