⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11182476 | 1.00 | — | — | |
| SCHEMBL17716668 | 1.00 | — | — | |
| SCHEMBL19886824 | 1.00 | — | — | |
| SCHEMBL9279087 | 1.00 | — | — | |
| SCHEMBL11182468 | 1.00 | — | — | |
| SCHEMBL24367 | 1.00 | — | — | |
| SCHEMBL17655498 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL31515106 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL30950940 | 0.97 | — | — | |
| SCHEMBL6398153 | 0.82 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021139595-A1 | RORγT INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF | 东莞市东阳光新药研发有限公司 | 2021-07-15 | — | — | WO | disclosed |