⚠ 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 | |
|---|---|---|---|---|
| Fluoride SCHEMBL84275 | 0.96 | ALDH1A1 (0.31) | — | |
| Fluoride SCHEMBL4907712 | 0.96 | ALDH1A1 (0.31) | — | |
| Fluoride SCHEMBL11497479 | 0.96 | — | — | |
| Fluoride SCHEMBL10706553 | 0.96 | ALDH1A1 (0.31) | — | |
| Fluoride SCHEMBL10706543 | 0.96 | ALDH1A1 (0.31) | — | |
| SCHEMBL9056715 | 0.69 | — | — | |
| SCHEMBL7828526 | 0.69 | ALDH1A1 (0.32) | — | |
| SCHEMBL11070461 | 0.67 | ALDH1A1 (0.35) | — | |
| SCHEMBL20656 | 0.67 | TSHR (0.43) | — | |
| SCHEMBL7177724 | 0.67 | ALDH1A1 (0.35) | — |
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 118 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024028729-A1 | FLUORINATION PROCESS | ROYAL COLLEGE OF SURGEONS IN IRELAND (IE) | 2024-02-08 | — | — | WO | claimed |
| EP-2057111-A1 | A LARGE SCALE METHOD FOR THE DEOXOFLUORINATION OF KETONES | Bayer Schering Pharma Aktiengesellschaft (DE) | 2009-05-13 | — | — | EP | claimed |
| WO-2008022791-A1 | A LARGE SCALE METHOD FOR THE DEOXOFLUORINATION OF KETONES | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2008-02-28 | — | — | WO | claimed |
| EP-1318160-B1 | Catalysts and process for the preparation of isocyanurate group containing polyisocyanates and their use | DEGUSSA (DE) | 2007-09-26 | — | — | EP | claimed |
| US-20030135007-A1 | Catalysts for preparing polyisocyanates containing isocyanurate groups, and their use | DEGUSSA AG (DE) | 2003-07-17 | — | — | US | claimed |
| EP-0907640-A1 | SUBSTITUTED N-(4-PYRIDYL)-THIOAMIDES WITH PESTICIDE ACTIVITY | BAYER AG (DE) | 1999-04-14 | — | — | EP | claimed |
| WO-1997049683-A1 | SUBSTITUTED N-(4-PYRIDYL)-THIOAMIDES WITH PESTICIDE ACTIVITY | BAYER AKTIENGESELLSCHAFT (DE) | 1997-12-31 | — | — | WO | claimed |
| EP-0181852-B1 | SUBSTITUTED 2,6-SUBSTITUTED PYRIDINE COMPOUNDS | Monsanto Company (US) | 1990-08-29 | — | — | EP | claimed |
| US-4655816-A | PLANT GROWTH REGULATORS | MONSANTO COMPANY (US) | 1987-04-07 | — | — | US | claimed |
| EP-0181852-A1 | Substituted 2,6-substituted pyridine compounds | Monsanto Company (US) | 1986-05-21 | — | — | EP | claimed |
| JP-10182598-A | — | — | None | — | — | JP | disclosed |
| JP-4103596-A | — | — | None | — | — | JP | disclosed |
| WO-2024028729-A1 | FLUORINATION PROCESS | ROYAL COLLEGE OF SURGEONS IN IRELAND (IE) | 2024-02-08 | — | — | WO | disclosed |
| WO-2024028729-A1 | FLUORINATION PROCESS | ROYAL COLLEGE OF SURGEONS IN IRELAND (IE) | 2024-02-08 | — | — | WO | disclosed |
| WO-2020037109-A1 | PROCESSES FOR FLUORINATION | DOW AGROSCIENCES LLC (US) | 2020-02-20 | — | — | WO | disclosed |
| US-3976691-A | Dialkylaminosulfur trifluorides as fluorinating agents | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1976-08-24 | — | — | US | disclosed |
| US-3976691-A | Dialkylaminosulfur trifluorides as fluorinating agents | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1976-08-24 | — | — | US | disclosed |
| US-3976691-A | Dialkylaminosulfur trifluorides as fluorinating agents | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1976-08-24 | — | — | US | disclosed |
| US-3914265-A | FOR HYDROXY COMPOUNDS | DU PONT | 1975-10-21 | — | — | US | disclosed |
| US-3914265-A | FOR HYDROXY COMPOUNDS | DU PONT | 1975-10-21 | — | — | US | disclosed |