⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11548909 | 0.55 | NFKB1 (0.30) | — | |
| SCHEMBL2677897 | 0.53 | — | — | |
| SCHEMBL17965535 | 0.51 | — | — | |
| SCHEMBL5571162 | 0.49 | — | — | |
| SCHEMBL5964599 | 0.49 | — | — | |
| SCHEMBL1252970 | 0.48 | — | — | |
| SCHEMBL11309659 | 0.48 | — | — | |
| Phosphoric Acid SCHEMBL27554351 | 0.48 | — | — | |
| SCHEMBL10430863 | 0.48 | ALDH1A1 (0.30) | — | |
| Phosphoric Acid SCHEMBL8900201 | 0.47 | — | — |
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-20090264733-A1 | MRI CONTRAST USING HIGH TRANSVERSE RELAXATION RATE CONTRAST AGENT | REGENTS OF THE UNIVERSITY OF MINNESOTA (US) | 2009-10-22 | — | — | US | disclosed |