⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22946662 | 0.65 | CYP2D6 (0.33) | — | |
| SCHEMBL75117 | 0.63 | HSD11B1 (0.31) | — | |
| SCHEMBL18634197 | 0.63 | HSD11B1 (0.31) | — | |
| SCHEMBL14272265 | 0.61 | — | — | |
| SCHEMBL14178772 | 0.60 | — | — | |
| SCHEMBL12013722 | 0.60 | — | — | |
| SCHEMBL13744571 | 0.57 | — | — | |
| SCHEMBL13715981 | 0.55 | — | — | |
| SCHEMBL10115763 | 0.53 | — | — | |
| SCHEMBL21132985 | 0.52 | HSD11B1 (0.31) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110040056-A1 | PROCESS FOR PRODUCTION OF POLYMER | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2011-02-17 | — | — | US | disclosed |
| US-20050079446-A1 | Novel polymerizable compound, polymer, positive-resist composition, and patterning process using the same | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2005-04-14 | — | — | US | disclosed |