⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL27945144 | 0.98 | ALOX5 (0.56) | — | |
| SCHEMBL29629110 | 0.91 | ALOX5 (0.61) | — | |
| SCHEMBL27683141 | 0.91 | ALOX5 (0.61) | — | |
| SCHEMBL24630130 | 0.80 | ALOX5 (0.38) | — | |
| SCHEMBL12164426 | 0.78 | — | — | |
| SCHEMBL15017272 | 0.78 | — | — | |
| SCHEMBL9954309 | 0.76 | — | — | |
| SCHEMBL15998881 | 0.74 | ALOX5 (0.40) | — | |
| SCHEMBL1627877 | 0.73 | — | — | |
| SCHEMBL10128321 | 0.73 | ALOX5 (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 |
|---|---|---|---|---|---|---|---|
| WO-2016001789-A1 | PYRIMIDINE DERIVATIVES AS PI3K INHIBITORS FOR USE IN THE TREATMENT OF CANCER | PFIZER INC. (US) | 2016-01-07 | — | — | WO | disclosed |
| WO-2012085167-A1 | METABOTROPIC GLUTAMATE RECEPTOR MODULATORS | MERZ PHARMA GMBH & CO. KGAA (DE) | 2012-06-28 | — | — | WO | disclosed |
| CN-1229350-C | New azabicyclooctane derivatives useful in the treatment of cardiac arrhythmias | ASTRAZENECA AB (SE) | 2005-11-30 | — | — | CN | disclosed |