⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL50944 | 1.00 | — | — | |
| SCHEMBL22980948 | 1.00 | — | — | |
| SCHEMBL14081824 | 1.00 | — | — | |
| SCHEMBL4658754 | 0.81 | — | — | |
| SCHEMBL5985512 | 0.79 | — | — | |
| SCHEMBL22588694 | 0.79 | — | — | |
| SCHEMBL29054509 | 0.79 | — | — | |
| SCHEMBL22588629 | 0.79 | — | — | |
| SCHEMBL15383064 | 0.79 | THRB (0.36) | — | |
| SCHEMBL1274278 | 0.79 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220289732-A1 | HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS | NOVARTIS AG (CH) | 2022-09-15 | — | — | US | disclosed |
| EP-4010334-A1 | HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS | Novartis AG (CH) | 2022-06-15 | — | — | EP | disclosed |
| WO-2021028806-A1 | HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS | NOVARTIS AG (CH) | 2021-02-18 | — | — | WO | disclosed |
| EP-0308188-B1 | Chiral epoxyalcohol recovery in asymmetric epoxidation process | ARCO CHEM TECH (US) | 1996-05-08 | — | — | EP | disclosed |
| EP-0388778-B1 | Preparation of dioxolane derivatives | HOFFMANN LA ROCHE (CH) | 1996-01-10 | — | — | EP | disclosed |
| US-5283346-A | Chemical intermediate for vitamin e | HOFFMANN-LA ROCHE INC. (US) | 1994-02-01 | — | — | US | disclosed |
| US-5232852-A | Enzymatic hydrolysis utilizing a lipase | HOFFMANN-LA ROCHE INC. (US) | 1993-08-03 | — | — | US | disclosed |
| EP-0388778-A2 | Preparation of dioxolane derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1990-09-26 | — | — | EP | disclosed |
| EP-0308188-A2 | Chiral epoxyalcohol recovery in asymmetric epoxidation process | ARCO Chemical Technology, L.P. (US) | 1989-03-22 | — | — | EP | disclosed |