⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7187441 | 0.89 | — | — | |
| SCHEMBL20548472 | 0.69 | — | — | |
| SCHEMBL3580850 | 0.67 | — | — | |
| SCHEMBL12212851 | 0.65 | — | — | |
| SCHEMBL12212860 | 0.65 | — | — | |
| SCHEMBL12212857 | 0.65 | — | — | |
| SCHEMBL7026104 | 0.65 | — | — | |
| SCHEMBL22097 | 0.65 | — | — | |
| SCHEMBL6451274 | 0.65 | — | — | |
| SCHEMBL287369 | 0.65 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1275631-A2 | Fluorination with aminosulfur trifluorides | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2003-01-15 | — | — | EP | disclosed |
| US-6222064-B1 | PERFORMING FLUORINATION BY CONTACTING ALCOHOLS, ALDEHYDES, KETONES, EPOXIDES, AND MIXTURES USING A FLUORINATING REAGENT COMPRISING AMINOSULFUR TRIFLUORIDE COMPOUND | AIR PRODUCTS AND CHEMICALS, INC. | 2001-04-24 | — | — | US | disclosed |
| US-6080886-A | STABLE, EFFICIENT FLUORINATION WITH LESS POTENTIAL OF VIOLENT DECOMPOSITION AND ATTENDANT HIGH GASEOUS BY-PRODUCT EVOLVEMENT; PRODUCING SYNTHETIC DRUGS AND AGROCHEMICAL PRODUCTS | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2000-06-27 | — | — | US | disclosed |
| EP-0905109-A1 | Fluorination with aminosulfur trifluorides | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1999-03-31 | — | — | EP | disclosed |