⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14533295 | 0.82 | ALDH1A1 (0.39) | — | |
| SCHEMBL22432365 | 0.75 | — | — | |
| SCHEMBL18644555 | 0.75 | — | — | |
| SCHEMBL4974897 | 0.70 | — | — | |
| SCHEMBL20215493 | 0.70 | — | — | |
| SCHEMBL23974058 | 0.68 | — | — | |
| SCHEMBL23963205 | 0.67 | TSHR (0.37) | — | |
| SCHEMBL18401068 | 0.65 | ALDH1A1 (0.42) | — | |
| SCHEMBL19245896 | 0.65 | — | — | |
| SCHEMBL18457097 | 0.65 | 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-20170075218-A1 | RESIST COMPOSITION AND PATTERNING PROCESS | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2017-03-16 | — | — | US | disclosed |