⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL557138 | 0.83 | TSHR (0.40) | — | |
| SCHEMBL1943663 | 0.83 | TSHR (0.40) | — | |
| SCHEMBL18705335 | 0.77 | CYP1A2 (0.35) | — | |
| SCHEMBL1062014 | 0.77 | ALDH1A1 (0.33) | — | |
| SCHEMBL9607 | 0.75 | KMT2A (0.43) | — | |
| Citric Acid SCHEMBL8916871 | 0.73 | ALDH1A1 (0.40) | — | |
| SCHEMBL826505 | 0.73 | LMNA (0.39) | — | |
| SCHEMBL4302806 | 0.73 | LMNA (0.39) | — | |
| SCHEMBL825651 | 0.73 | LMNA (0.39) | — | |
| SCHEMBL21986417 | 0.72 | EPHX2 (0.42) | — |
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-1877783-B1 | MASS SPECTROMETRIC ANALYSIS METHOD | EIDGENOESS TECH HOCHSCHULE (CH) | 2011-07-06 | — | — | EP | disclosed |
| EP-1877783-A2 | MASS SPECTROMETRIC ANALYSIS METHOD | Eidgenössische Technische Hochschule Zürich (CH) | 2008-01-16 | — | — | EP | disclosed |
| WO-2006116893-A2 | MASS SPECTROMETRIC ANALYSIS METHOD | Eidgenössische Technische Hochschule Zürich (CH) | 2006-11-09 | — | — | WO | disclosed |