⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7790 | 0.98 | — | — | |
| Benzene SCHEMBL15668588 | 0.95 | ALOX15 (0.46) | — | |
| Phosphine SCHEMBL28881621 | 0.95 | KDM4E (0.41) | — | |
| Water SCHEMBL28134075 | 0.95 | — | — | |
| Ammonia Solution, Strong SCHEMBL20400056 | 0.95 | — | — | |
| SCHEMBL28930585 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL1662114 | 0.95 | — | — | |
| Bromide SCHEMBL6269164 | 0.95 | — | — | |
| SCHEMBL21837234 | 0.95 | KDM4E (0.41) | — | |
| SCHEMBL28067891 | 0.95 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109251225-A | Pyrazoles -3- formic acid nickel complex and preparation method | 桂林理工大学 | 2019-01-22 | — | — | CN | claimed |
| CN-109251225-A | Pyrazoles -3- formic acid nickel complex and preparation method | 桂林理工大学 | 2019-01-22 | — | — | CN | disclosed |
| CN-109251225-A | Pyrazoles -3- formic acid nickel complex and preparation method | 桂林理工大学 | 2019-01-22 | — | — | CN | disclosed |
| CN-109251225-A | Pyrazoles -3- formic acid nickel complex and preparation method | 桂林理工大学 | 2019-01-22 | — | — | CN | disclosed |
| CN-107129513-A | Preparation, structure and its application of the formic acid nickel complex of pyrazoles 3 | 桂林理工大学 | 2017-09-05 | — | — | CN | disclosed |