⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9348376 | 0.77 | SMN1; SMN2 (0.53) | — | |
| SCHEMBL967611 | 0.74 | — | — | |
| SCHEMBL11196421 | 0.74 | — | — | |
| SCHEMBL967610 | 0.74 | — | — | |
| SCHEMBL22472035 | 0.74 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL15272555 | 0.74 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL1290037 | 0.74 | SMN1; SMN2 (0.48) | — | |
| SCHEMBL295464 | 0.72 | — | — | |
| SCHEMBL308777 | 0.72 | — | — | |
| SCHEMBL771152 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4683916-A1 | PROCESS FOR THE PREPARATION OF UPADACITINIB ACTIVE SUBSTANCE AND INTERMEDIATES | Egis Gyógyszergyár Zrt. (HU) | 2026-01-28 | — | — | EP | disclosed |
| WO-2024194663-A1 | PROCESS FOR THE PREPARATION OF UPADACITINIB ACTIVE SUBSTANCE AND INTERMEDIATES | EGIS GYÓGYSZERGYÁR ZRT. (HU) | 2024-09-26 | — | — | WO | disclosed |