⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30782086 | 0.82 | — | — | |
| SCHEMBL18932496 | 0.73 | — | — | |
| SCHEMBL24754418 | 0.71 | — | — | |
| SCHEMBL25467342 | 0.70 | — | — | |
| SCHEMBL18098474 | 0.69 | — | — | |
| SCHEMBL12333679 | 0.69 | — | — | |
| SCHEMBL24477927 | 0.69 | — | — | |
| SCHEMBL20723392 | 0.69 | — | — | |
| SCHEMBL29631601 | 0.69 | — | — | |
| SCHEMBL4269786 | 0.69 | — | — |
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-20200131201-A1 | TYK2 INHIBITORS AND USES THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2020-04-30 | — | — | US | disclosed |
| WO-2020081508-A1 | TYK2 INHIBITORS AND USES THEREOF | NIMBUS LAKSHMI, INC. (US) | 2020-04-23 | — | — | WO | disclosed |