⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11110482 | 0.71 | — | — | |
| SCHEMBL14608823 | 0.69 | — | — | |
| SCHEMBL12013174 | 0.68 | ALDH1A1 (0.38) | — | |
| SCHEMBL25122099 | 0.68 | — | — | |
| SCHEMBL25456171 | 0.67 | — | — | |
| SCHEMBL22236883 | 0.67 | — | — | |
| SCHEMBL263136 | 0.67 | ALDH1A1 (0.37) | — | |
| SCHEMBL12521054 | 0.67 | ALDH1A1 (0.37) | — | |
| SCHEMBL20079477 | 0.67 | — | — | |
| SCHEMBL12521232 | 0.67 | ALDH1A1 (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-20200218154-A1 | RESIST COMPOSITION AND PATTERNING PROCESS | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2020-07-09 | — | — | US | disclosed |