⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14363814 | 0.89 | HMGCR (0.34) | — | |
| SCHEMBL14489355 | 0.88 | — | — | |
| SCHEMBL9916118 | 0.83 | — | — | |
| SCHEMBL14499382 | 0.83 | — | — | |
| SCHEMBL14489366 | 0.82 | — | — | |
| SCHEMBL14489061 | 0.81 | — | — | |
| SCHEMBL14489060 | 0.81 | ALDH1A1 (0.32) | — | |
| SCHEMBL47522 | 0.80 | — | — | |
| SCHEMBL14489382 | 0.80 | — | — | |
| SCHEMBL14489360 | 0.78 | HMGCR (0.33) | — |
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-7232642-B2 | Chemically amplified positive resist composition, a haloester derivative and a process for producing the same | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2007-06-19 | — | — | US | disclosed |