⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5573217 | 0.87 | GABRP (0.33) | — | |
| SCHEMBL484030 | 0.80 | — | — | |
| SCHEMBL10806196 | 0.73 | MAPK1 (0.34) | — | |
| SCHEMBL28639157 | 0.71 | — | — | |
| SCHEMBL9661250 | 0.67 | MAPK1 (0.39) | — | |
| SCHEMBL3062992 | 0.67 | POLB (0.37) | — | |
| SCHEMBL2704089 | 0.64 | L3MBTL1 (0.48) | — | |
| SCHEMBL9877006 | 0.62 | L3MBTL1 (0.47) | — | |
| SCHEMBL2923594 | 0.62 | — | — | |
| SCHEMBL10394994 | 0.62 | POLB (0.37) | — |
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-20090281269-A1 | PROCESS FOR PRODUCING PENTAERYTHRITOL MERCAPTOCARBOXYLIC ESTERS AND POLYMERIZABLE COMPOSITIONS CONTAINING THE ESTERS | MITSUI CHEMICALS, INC. (JP) | 2009-11-12 | — | — | US | disclosed |