⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2918176 | 0.79 | — | — | |
| SCHEMBL14701161 | 0.75 | — | — | |
| SCHEMBL24497274 | 0.75 | — | — | |
| SCHEMBL10186334 | 0.71 | — | — | |
| SCHEMBL12449368 | 0.71 | — | — | |
| SCHEMBL14431029 | 0.71 | — | — | |
| SCHEMBL19985167 | 0.70 | — | — | |
| SCHEMBL16576596 | 0.70 | — | — | |
| SCHEMBL25594554 | 0.68 | ALDH1A1 (0.31) | — | |
| SCHEMBL17470203 | 0.68 | SLC5A1 (0.31) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170312363-A1 | MULTIFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE AND PREPARATION METHOD THEREFOR | XIAMEN SINOPEG BIOTECH CO., LTD. (CN) | 2017-11-02 | — | — | US | disclosed |
| US-8664289-B2 | Dye and coloring photosensitive composition | ADEKA CORPORATION (JP) | 2014-03-04 | — | — | US | disclosed |
| US-8664289-B2 | Dye and coloring photosensitive composition | ADEKA CORPORATION (JP) | 2014-03-04 | — | — | US | disclosed |
| US-20130041062-A1 | DYE AND COLORING PHOTOSENSITIVE COMPOSITION | ADEKA CORPORATION (JP) | 2013-02-14 | — | — | US | disclosed |
| US-20130041062-A1 | DYE AND COLORING PHOTOSENSITIVE COMPOSITION | ADEKA CORPORATION (JP) | 2013-02-14 | — | — | US | disclosed |