⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL525195 | 0.81 | LMNA (0.36) | — | |
| SCHEMBL5933303 | 0.75 | — | — | |
| SCHEMBL4202303 | 0.75 | ALDH1A1 (0.34) | — | |
| SCHEMBL4211600 | 0.75 | TSHR (0.32) | — | |
| SCHEMBL4209411 | 0.73 | SIGMAR1 (0.37) | — | |
| SCHEMBL143667 | 0.73 | — | — | |
| SCHEMBL9172901 | 0.73 | LMNA (0.32) | — | |
| SCHEMBL4202305 | 0.73 | SIGMAR1 (0.37) | — | |
| SCHEMBL394402 | 0.73 | — | — | |
| SCHEMBL17953259 | 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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230055237-A1 | COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS | FLATLEY DISCOVERY LAB, LLC | 2023-02-23 | — | — | US | disclosed |
| CN-104557720-B | A kind of preparation method of cimetidine | 盐城凯利药业有限公司 | 2017-03-15 | — | — | CN | disclosed |
| EP-0238629-B1 | COMPOSITION COMPRISING A TRANSITION METAL OR LEAD COMPLEX OF A MANNICH BASE AND AN OXIM AND ITS USE AS A FUEL ADDITIVE | The Lubrizol Corporation (US) | 1992-12-02 | — | — | EP | disclosed |
| EP-0238632-B1 | METAL COMPLEXES OF MANNICH BASES | The Lubrizol Corporation (US) | 1992-11-25 | — | — | EP | disclosed |
| US-4816038-A | REDUCING SOOT IGNITION TEMPERATURE IN DIESEL FUELS | THE LUBRIZOL CORPORATION (US) | 1989-03-28 | — | — | US | disclosed |
| EP-0238629-A1 | COMPOSITION COMPRISING A TRANSITION METAL OR LEAD COMPLEX OF A MANNICH BASE AND AN OXIM AND ITS USE AS A FUEL ADDITIVE. | LUBRIZOL CORP (US) | 1987-09-30 | — | — | EP | disclosed |
| EP-0238632-A1 | METAL COMPLEXES OF MANNICH BASES. | LUBRIZOL CORP (US) | 1987-09-30 | — | — | EP | disclosed |
| US-4673412-A | STORAGE STABILITY | THE LUBRIZOL CORPORATION (US) | 1987-06-16 | — | — | US | disclosed |
| WO-1987001720-A1 | FUEL ADDITIVE COMPRISING A METAL COMPOUND AND AN OXIME AND FUEL COMPOSITIONS CONTAINING SAME | THE LUBRIZOL CORPORATION (US) | 1987-03-26 | — | — | WO | disclosed |
| WO-1987001721-A1 | METAL COMPLEXES OF MANNICH BASES | THE LUBRIZOL CORPORATION (US) | 1987-03-26 | — | — | WO | disclosed |