⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9505472 | 1.00 | — | — | |
| SCHEMBL9501489 | 0.83 | GPR52 (0.40) | — | |
| SCHEMBL9501496 | 0.83 | GPR52 (0.40) | — | |
| SCHEMBL14465955 | 0.78 | CYSLTR2 (0.36) | — | |
| SCHEMBL6156151 | 0.76 | APOBEC3G (0.35) | — | |
| SCHEMBL9505483 | 0.73 | ALDH1A1 (0.32) | — | |
| SCHEMBL8378247 | 0.73 | TDP1 (0.34) | — | |
| SCHEMBL11941054 | 0.73 | CTSB (0.41) | — | |
| SCHEMBL11342700 | 0.69 | APOBEC3G (0.38) | — | |
| SCHEMBL6152520 | 0.68 | HPGD (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0548235-A1 | SYNTHETIC DRUG MOLECULES THAT MIMIC METALLOENZYMES | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1993-06-30 | — | — | EP | disclosed |
| US-5202317-A | SYNTHETIC DRUG MOLECULES THAT MIMIC METALLOENZYMES | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1993-04-13 | — | — | US | disclosed |
| WO-1992005178-A1 | SYNTHETIC DRUG MOLECULES THAT MIMIC METALLOENZYMES | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1992-04-02 | — | — | WO | disclosed |