⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9984 | 0.82 | — | — | |
| SCHEMBL980219 | 0.69 | — | — | |
| Acetonitrile SCHEMBL9937042 | 0.69 | — | — | |
| SCHEMBL253215 | 0.67 | — | — | |
| Acetonitrile SCHEMBL28150100 | 0.65 | — | — | |
| SCHEMBL16894426 | 0.65 | — | — | |
| SCHEMBL4283111 | 0.65 | — | — | |
| SCHEMBL4640661 | 0.65 | — | — | |
| Acetonitrile SCHEMBL27983223 | 0.64 | — | — | |
| SCHEMBL5908680 | 0.63 | — | — |
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-104169281-B | The pyrroles's diformamide condensed and they are as the purposes of medicine | 赛诺菲 | 2016-12-14 | — | — | CN | disclosed |