⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12521346 | 0.92 | MAPT (0.33) | — | |
| SCHEMBL22751655 | 0.82 | MAPT (0.33) | — | |
| SCHEMBL12165929 | 0.82 | LMNA (0.32) | — | |
| SCHEMBL24276482 | 0.82 | PGR (0.36) | — | |
| SCHEMBL10039261 | 0.81 | KMT2A (0.34) | — | |
| SCHEMBL22751645 | 0.81 | KMT2A (0.33) | — | |
| SCHEMBL26510505 | 0.80 | ITGB2 (0.30) | — | |
| SCHEMBL11929619 | 0.78 | CNR2 (0.35) | — | |
| SCHEMBL21453527 | 0.78 | KDM4E (0.33) | — | |
| SCHEMBL20086153 | 0.78 | PGR (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-20120292576-A1 | COMPOUNDS FOR ELECTRONIC DEVICES | MERCK PATENT GMBH (DE) | 2012-11-22 | — | — | US | disclosed |