⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12703393 | 0.83 | TSHR (0.38) | — | |
| SCHEMBL13623420 | 0.80 | — | — | |
| SCHEMBL12703391 | 0.80 | TSHR (0.30) | — | |
| SCHEMBL13623648 | 0.79 | — | — | |
| SCHEMBL13366573 | 0.76 | — | — | |
| SCHEMBL12703407 | 0.76 | PDK2 (0.31) | — | |
| SCHEMBL12703316 | 0.76 | PDK2 (0.34) | — | |
| SCHEMBL13511386 | 0.76 | — | — | |
| SCHEMBL20036948 | 0.76 | — | — | |
| SCHEMBL12703328 | 0.75 | PDK2 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009141026-A1 | COMPOUNDS FOR ELECTRONIC DEVICES | MERCK PATENT GMBH, (DE) | 2009-11-26 | — | — | WO | disclosed |