⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18969273 | 0.83 | — | — | |
| SCHEMBL18969324 | 0.83 | — | — | |
| SCHEMBL23865782 | 0.79 | — | — | |
| SCHEMBL23746507 | 0.77 | — | — | |
| SCHEMBL24792233 | 0.76 | — | — | |
| SCHEMBL22049072 | 0.75 | PTPN11 (0.36) | — | |
| SCHEMBL18390359 | 0.74 | — | — | |
| SCHEMBL18968111 | 0.74 | — | — | |
| SCHEMBL23746508 | 0.72 | JAK2 (0.34) | — | |
| SCHEMBL22778770 | 0.71 | — | — |
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-9963448-B2 | Bicyclic inhibitors of PAD4 | PADLOCK THERAPEUTICS, INC. (US) | 2018-05-08 | — | — | US | disclosed |
| US-20170166565-A1 | BICYCLIC INHIBITORS OF PAD4 | PADLOCK THERAPEUTICS, INC. | 2017-06-15 | — | — | US | disclosed |