⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12521111 | 0.64 | — | — | |
| SCHEMBL17081016 | 0.60 | — | — | |
| SCHEMBL427747 | 0.60 | — | — | |
| SCHEMBL12520720 | 0.58 | — | — | |
| SCHEMBL12520693 | 0.58 | — | — | |
| SCHEMBL28894062 | 0.54 | APOBEC3A (0.39) | — | |
| SCHEMBL1311436 | 0.54 | — | — | |
| SCHEMBL8336874 | 0.54 | NPC1 (0.34) | — | |
| SCHEMBL12520655 | 0.51 | — | — | |
| SCHEMBL16423308 | 0.51 | ALDH1A1 (0.36) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130005710-A1 | AMINOPYRIDINE DERIVATIVE | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-01-03 | — | — | US | disclosed |
| EP-2502909-A1 | AMINOPYRIDINE DERIVATIVE | Takeda Pharmaceutical Company Limited (JP) | 2012-09-26 | — | — | EP | disclosed |