⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23114294 | 1.00 | — | — | |
| SCHEMBL21946982 | 1.00 | — | — | |
| SCHEMBL5888393 | 1.00 | — | — | |
| SCHEMBL23133729 | 1.00 | — | — | |
| SCHEMBL10290749 | 1.00 | — | — | |
| SCHEMBL14396284 | 0.87 | — | — | |
| SCHEMBL21947332 | 0.86 | DPP4 (0.33) | — | |
| SCHEMBL17835259 | 0.86 | DPP4 (0.33) | — | |
| SCHEMBL17858342 | 0.86 | DPP4 (0.33) | — | |
| SCHEMBL257813 | 0.86 | DPP4 (0.33) | — |
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-20200131201-A1 | TYK2 INHIBITORS AND USES THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2020-04-30 | — | — | US | disclosed |