⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL117683 | 0.74 | PRKCI (0.33) | — | |
| SCHEMBL23663756 | 0.71 | LMNA (0.30) | — | |
| SCHEMBL9928433 | 0.67 | LMNA (0.49) | — | |
| SCHEMBL13689913 | 0.64 | HTT (0.36) | — | |
| SCHEMBL12061613 | 0.63 | ERN1 (0.31) | — | |
| SCHEMBL10284425 | 0.63 | GAA (0.41) | — | |
| SCHEMBL12344287 | 0.63 | NNMT (0.39) | — | |
| SCHEMBL12062555 | 0.62 | — | — | |
| SCHEMBL9706128 | 0.62 | HPGD (0.41) | — | |
| SCHEMBL28196867 | 0.61 | PDE2A (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 |
|---|---|---|---|---|---|---|---|
| US-20120178779-A1 | FUSED HETEROCYCLIC COMPOUND AND USE THEREOF | SUMITOMO CHEMICAL COMPANY, LIMITED | 2012-07-12 | — | — | US | disclosed |