⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL368094 | 0.81 | ADRB2 (0.35) | — | |
| SCHEMBL5611699 | 0.78 | ADRB2 (0.34) | — | |
| SCHEMBL5611639 | 0.78 | ADRB2 (0.34) | — | |
| SCHEMBL4552219 | 0.77 | — | — | |
| SCHEMBL1948513 | 0.75 | KDM1A (0.43) | — | |
| SCHEMBL3023756 | 0.75 | PAOX (0.50) | — | |
| SCHEMBL22105 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL3009329 | 0.73 | KDM1A (0.46) | — | |
| SCHEMBL9993563 | 0.73 | — | — | |
| SCHEMBL13650833 | 0.73 | — | — |
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-9968633-B2 | Stimuli responsive compositions for iron chelation | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2018-05-15 | — | — | US | disclosed |