⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL344353 | 1.00 | — | — | |
| SCHEMBL6213747 | 1.00 | — | — | |
| SCHEMBL4501561 | 1.00 | — | — | |
| SCHEMBL6777764 | 1.00 | — | — | |
| SCHEMBL8360967 | 1.00 | — | — | |
| SCHEMBL9413931 | 1.00 | — | — | |
| SCHEMBL7614249 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL6211701 | 0.98 | DRD3 (0.32) | — | |
| Hydrochloric Acid SCHEMBL8332733 | 0.98 | DRD3 (0.32) | — | |
| Bromide SCHEMBL7614248 | 0.98 | DRD3 (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 |
|---|---|---|---|---|---|---|---|
| EP-2411010-A1 | NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION | MSD K.K. (JP) | 2012-02-01 | — | — | EP | disclosed |