⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6057113 | 0.80 | — | — | |
| SCHEMBL16200702 | 0.72 | PLAU (0.48) | — | |
| SCHEMBL3842026 | 0.70 | — | — | |
| SCHEMBL11200024 | 0.68 | — | — | |
| SCHEMBL15114814 | 0.68 | — | — | |
| SCHEMBL1164056 | 0.68 | — | — | |
| SCHEMBL3846740 | 0.68 | — | — | |
| SCHEMBL3842021 | 0.68 | — | — | |
| SCHEMBL6605749 | 0.67 | PPARA (0.38) | — | |
| SCHEMBL20302244 | 0.66 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230303586-A1 | INHIBITORS OF KRAS G12C | ARAXES PHARMA LLC (US) | 2023-09-28 | — | — | US | disclosed |
| US-9795550-B2 | Gamma-diketones for treatment and prevention of aging skin and wrinkles | SAMUMED, LLC (US) | 2017-10-24 | — | — | US | disclosed |
| EP-0772593-B1 | THIOPYRIDYL COMPOUNDS FOR CONTROLLING HELICOBACTER BACTERIA | ALTANA PHARMA AG (DE) | 2003-05-02 | — | — | EP | disclosed |
| US-6162809-A | Pyridylthio compounds for controlling helicobacter bacteria | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 2000-12-19 | — | — | US | disclosed |
| EP-0772593-A1 | THIOPYRIDYL COMPOUNDS FOR CONTROLLING HELICOBACTER BACTERIA | Byk Gulden Lomberg Chemische Fabrik GmbH (DE) | 1997-05-14 | — | — | EP | disclosed |
| WO-1996002505-A1 | THIOPYRIDYL COMPOUNDS FOR CONTROLLING HELICOBACTER BACTERIA | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1996-02-01 | — | — | WO | disclosed |