⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2884410 | 0.92 | GABRA1 (0.30) | — | |
| SCHEMBL5599093 | 0.67 | — | — | |
| SCHEMBL16878782 | 0.67 | — | — | |
| SCHEMBL16878198 | 0.67 | — | — | |
| SCHEMBL5945222 | 0.64 | — | — | |
| SCHEMBL9686137 | 0.63 | — | — | |
| SCHEMBL9687235 | 0.63 | — | — | |
| SCHEMBL3725149 | 0.63 | NR1I2 (0.30) | — | |
| SCHEMBL1865215 | 0.63 | — | — | |
| SCHEMBL15304633 | 0.63 | — | — |
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-20170329219-A1 | PHOTORESIST COMPOSITION | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2017-11-16 | — | — | US | disclosed |