⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30449 | 0.60 | — | — | |
| SCHEMBL12906161 | 0.58 | NOTUM (0.59) | — | |
| SCHEMBL4894587 | 0.55 | — | — | |
| SCHEMBL84761 | 0.55 | — | — | |
| SCHEMBL682543 | 0.55 | — | — | |
| SCHEMBL9332908 | 0.55 | — | — | |
| Bromide SCHEMBL28432523 | 0.54 | — | — | |
| SCHEMBL8830066 | 0.53 | — | — | |
| SCHEMBL8878822 | 0.53 | NOTUM (0.36) | — | |
| SCHEMBL2096146 | 0.52 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20190284194-A1 | TYK2 INHIBITORS AND USES THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2019-09-19 | — | — | US | disclosed |