⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL94902 | 0.71 | — | — | |
| Water SCHEMBL27985161 | 0.70 | GDA (0.96) | — | |
| Hydrochloric Acid SCHEMBL1776088 | 0.70 | GDA (0.96) | — | |
| SCHEMBL3885477 | 0.69 | GDA (0.60) | — | |
| SCHEMBL2202786 | 0.69 | GDA (0.60) | — | |
| SCHEMBL9708864 | 0.69 | GDA (0.60) | — | |
| SCHEMBL11801045 | 0.68 | GDA (0.59) | — | |
| SCHEMBL14357644 | 0.67 | GDA (0.52) | — | |
| SCHEMBL2491314 | 0.66 | KDM4E (0.64) | — | |
| SCHEMBL21286900 | 0.65 | GDA (0.60) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1825254-A4 | METHOD FOR OPTIMIZING THIOPURINE EFFICACY AND TOXICITY USING MASS SPECTROMETRY | PROMETHEUS LAB INC (US) | 2009-01-14 | — | — | EP | disclosed |
| EP-1825254-A2 | METHOD FOR OPTIMIZING THIOPURINE EFFICACY AND TOXICITY USING MASS SPECTROMETRY | Prometheus Laboratories, Inc. (US) | 2007-08-29 | — | — | EP | disclosed |
| US-20060216726-A1 | Method for optimizing thiopurine efficacy and toxicity using mass spectrometry | PROMETHEUS LABORATORIES INC. (US) | 2006-09-28 | — | — | US | disclosed |
| WO-2006055527-A2 | METHOD FOR OPTIMIZING THIOPURINE EFFICACY AND TOXICITY USING MASS SPECTROMETRY | PROMETHEUS LABORATORIES INC. (US) | 2006-05-26 | — | — | WO | disclosed |