⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12879954 | 0.91 | — | — | |
| SCHEMBL12879953 | 0.80 | — | — | |
| SCHEMBL10053635 | 0.75 | PDK2 (0.39) | — | |
| SCHEMBL12864445 | 0.75 | DUSP3 (0.32) | — | |
| SCHEMBL24488658 | 0.70 | — | — | |
| SCHEMBL2606162 | 0.70 | KDM4E (0.33) | — | |
| SCHEMBL17760114 | 0.70 | — | — | |
| SCHEMBL19421733 | 0.69 | PLIN1 (0.31) | — | |
| SCHEMBL12864424 | 0.69 | PDK2 (0.35) | — | |
| SCHEMBL2606166 | 0.67 | — | — |
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-20110037027-A1 | FLUORINE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES | MERCK PATENT GMBH (DE) | 2011-02-17 | — | — | US | disclosed |