⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28801345 | 0.93 | KDM4E (0.31) | — | |
| Hydrochloric Acid SCHEMBL28804720 | 0.91 | KDM4E (0.30) | — | |
| SCHEMBL27910220 | 0.90 | MAPT (0.31) | — | |
| SCHEMBL29256163 | 0.87 | CYP2D6 (0.34) | — | |
| Sulfuric Acid SCHEMBL28063193 | 0.86 | ALDH1A1 (0.32) | — | |
| SCHEMBL27839877 | 0.82 | KDM4E (0.39) | — | |
| SCHEMBL27700495 | 0.82 | — | — | |
| SCHEMBL29625812 | 0.79 | GPR84 (0.39) | — | |
| SCHEMBL29131406 | 0.79 | GPR84 (0.39) | — | |
| SCHEMBL28100965 | 0.79 | GPR84 (0.39) | — |
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-103613760-B | The preparation method of polyaniline/ferroferoxide oxide electromagnetic composite material | 兰州理工大学 | 2016-06-15 | — | — | CN | claimed |