⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12199972 | 1.00 | — | — | |
| SCHEMBL12200003 | 0.98 | — | — | |
| SCHEMBL12200568 | 0.89 | ZDHHC20 (0.30) | — | |
| SCHEMBL25837416 | 0.88 | ZDHHC20 (0.32) | — | |
| SCHEMBL12199981 | 0.86 | — | — | |
| SCHEMBL12200571 | 0.85 | THRB (0.32) | — | |
| SCHEMBL13146827 | 0.83 | — | — | |
| SCHEMBL25837428 | 0.81 | ZDHHC20 (0.33) | — | |
| SCHEMBL25837439 | 0.80 | ZDHHC20 (0.35) | — | |
| SCHEMBL25837425 | 0.79 | ZDHHC20 (0.34) | — |
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-20110242191-A1 | INK COMPOSITION, INKJET RECORDING METHOD AND PROCESS FOR PRODUCING MOLDED PRINTED MATERIAL | FUJIFILM CORPORATION (JP) | 2011-10-06 | — | — | US | disclosed |