⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16971286 | 0.82 | — | — | |
| SCHEMBL6940326 | 0.82 | — | — | |
| SCHEMBL10726556 | 0.82 | — | — | |
| SCHEMBL458250 | 0.82 | — | — | |
| SCHEMBL1264326 | 0.82 | — | — | |
| SCHEMBL193287 | 0.82 | — | — | |
| SCHEMBL25264473 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL22158041 | 0.67 | — | — | |
| SCHEMBL20557546 | 0.67 | — | — | |
| SCHEMBL6925632 | 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 |
|---|---|---|---|---|---|---|---|
| CN-102311422-A | N-(hept-4-yl) benzo [d] [1, 3] dioxole-5-methanamide and synthetic method thereof | SHANGHAI INST TECHNOLOGY | 2012-01-11 | — | — | CN | disclosed |