⚠ 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 | |
|---|---|---|---|---|
| Sulfuric Acid SCHEMBL7546597 | 0.80 | KDM4E (0.43) | — | |
| SCHEMBL1735376 | 0.73 | — | — | |
| SCHEMBL4553467 | 0.67 | — | — | |
| Biguanide SCHEMBL18255803 | 0.67 | MAPK1 (0.31) | — | |
| SCHEMBL1169064 | 0.67 | — | — | |
| Pimagedine SCHEMBL7763659 | 0.67 | ALDH1A1 (0.43) | — | |
| Pimagedine SCHEMBL15307 | 0.67 | — | — | |
| Biguanide SCHEMBL8039 | 0.67 | — | — | |
| Hydroxyguanidine SCHEMBL116224 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL23478346 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20140252921-A1 | NUCLEAR MAGNETIC RESONANCE ELECTRIC GENERATOR | WORKMAN NYDEGGER PC | 2014-09-11 | — | — | US | disclosed |