⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12684665 | 1.00 | — | — | |
| SCHEMBL29794353 | 0.80 | — | — | |
| SCHEMBL10066091 | 0.76 | NR1H4 (0.34) | — | |
| SCHEMBL10109701 | 0.76 | — | — | |
| SCHEMBL26079654 | 0.76 | — | — | |
| SCHEMBL14781820 | 0.76 | — | — | |
| SCHEMBL9968974 | 0.72 | ALDH1A1 (0.33) | — | |
| SCHEMBL16431219 | 0.72 | NR1H4 (0.38) | — | |
| SCHEMBL7548600 | 0.71 | — | — | |
| SCHEMBL14731971 | 0.71 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012178173-A1 | EXTRACELLULAR TARGETED DRUG CONJUGATES | CENTROSE, LLC (US) | 2012-12-27 | — | — | WO | disclosed |
| WO-2012122514-A1 | EXTRACELLULAR TARGETED DRUG CONJUGATES | CENTROSE, LLC (US) | 2012-09-13 | — | — | WO | disclosed |
| US-20120213735-A1 | THERAPEUTIC FUROPYRIMIDINES AND THIENOPYRIMIDINES | BIOCRYST PHARMACEUTICALS, INC. (US) | 2012-08-23 | — | — | US | disclosed |
| US-8133870-B2 | Therapeutic furopyrimidines and thienopyrimidines | BIOCRYST PHARMACEUTICALS, INC. (US) | 2012-03-13 | — | — | US | disclosed |
| WO-2011031870-A1 | EXTRACELLULAR TARGETED DRUG CONJUGATES | CENTROSE, LLC (US) | 2011-03-17 | — | — | WO | disclosed |
| WO-2010017480-A1 | GLYCOSIDE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF | CENTROSE, LLC (US) | 2010-02-11 | — | — | WO | disclosed |
| US-20080300200-A1 | Therapeutic Furopyrimidines and Thienopyrimidines | BIOCRYST PHARMACEUTICALS, INC. (US) | 2008-12-04 | — | — | US | disclosed |
| US-7429571-B2 | Therapeutic furopyrimidines and thienopyrimidines | BIOCRYST PHARMACEUTICALS, INC. (US) | 2008-09-30 | — | — | US | disclosed |