⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19214567 | 0.99 | — | — | |
| SCHEMBL685997 | 0.86 | — | — | |
| SCHEMBL686140 | 0.86 | — | — | |
| SCHEMBL686285 | 0.86 | — | — | |
| SCHEMBL24177946 | 0.85 | MAPT (0.30) | — | |
| SCHEMBL686135 | 0.84 | — | — | |
| SCHEMBL13779582 | 0.84 | — | — | |
| SCHEMBL24177937 | 0.84 | MAPT (0.31) | — | |
| SCHEMBL19214564 | 0.83 | CYP19A1 (0.40) | — | |
| SCHEMBL13779581 | 0.82 | — | — |
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-20170226252-A1 | MONOMER, POLYMER, RESIST COMPOSITION, AND PATTERNING PROCESS | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2017-08-10 | — | — | US | disclosed |