⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18912876 | 0.84 | HSD11B1 (0.37) | — | |
| SCHEMBL18912877 | 0.74 | HTT (0.33) | — | |
| SCHEMBL7857014 | 0.71 | HSD11B1 (0.34) | — | |
| SCHEMBL18906498 | 0.70 | HTT (0.32) | — | |
| SCHEMBL16522346 | 0.69 | HSD11B1 (0.35) | — | |
| SCHEMBL353233 | 0.69 | HSD11B1 (0.43) | — | |
| SCHEMBL16249890 | 0.67 | HSD11B1 (0.42) | — | |
| SCHEMBL16351616 | 0.67 | HSD11B1 (0.33) | — | |
| SCHEMBL16351613 | 0.67 | HSD11B1 (0.33) | — | |
| SCHEMBL16249613 | 0.65 | HSD11B1 (0.39) | — |
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-20170153549-A1 | SILICON-CONTAINING RESIST UNDERLAYER FILM-FORMING COMPOSITION HAVING ORGANIC GROUP HAVING ALIPHATIC POLYCYCLIC STRUCTURE | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2017-06-01 | — | — | US | disclosed |