⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20090047 | 0.76 | TSHR (0.31) | — | |
| SCHEMBL807413 | 0.70 | PRKCA (0.42) | — | |
| SCHEMBL12345780 | 0.70 | DGAT1 (0.31) | — | |
| SCHEMBL17293290 | 0.70 | — | — | |
| SCHEMBL13446140 | 0.69 | ALDH1A1 (0.31) | — | |
| SCHEMBL11987677 | 0.67 | — | — | |
| SCHEMBL20795 | 0.66 | — | — | |
| SCHEMBL13446142 | 0.65 | — | — | |
| SCHEMBL47526 | 0.65 | CYP4F2 (0.37) | — | |
| SCHEMBL12345969 | 0.65 | DGAT1 (0.37) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180113383-A1 | COLORING AGENT DISPERSION, PHOTOSENSITIVE RESIN COMPOSITION, CURED PRODUCT, ORGANIC EL ELEMENT, METHOD FOR FORMING PATTERN, AND METHOD FOR PRODUCING PHOTOSENSITIVE RESIN COMPOSITION | TOKYO OHKA KOGYO CO., LTD. (JP) | 2018-04-26 | — | — | US | disclosed |