⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14950036 | 0.82 | — | — | |
| SCHEMBL14950040 | 0.82 | — | — | |
| SCHEMBL19288192 | 0.82 | — | — | |
| SCHEMBL122647 | 0.80 | — | — | |
| SCHEMBL23388213 | 0.79 | — | — | |
| SCHEMBL14950038 | 0.79 | — | — | |
| SCHEMBL7198469 | 0.78 | — | — | |
| SCHEMBL28434182 | 0.77 | — | — | |
| Oseltamivir Carboxylate SCHEMBL1977050 | 0.77 | — | — | |
| Oseltamivir Carboxylate SCHEMBL20607528 | 0.77 | — | — |
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-2848606-B1 | FLUORO-SUBSTITUTED (3R, 4R, 5S)-5-GUANIDINO-4-ACYLAMINO-3-(PENTAN-3-YLOXY) CYCLOHEXENE-1-CARBOXYLIC ACIDS, ESTERS THEREOF AND A METHOD FOR THE USE THEREOF | IVACHTCHENKO ALEXANDRE VASILEVICH (RU) | 2017-08-30 | — | — | EP | disclosed |
| EP-2848606-A2 | FLUORO-SUBSTITUTED (3R, 4R, 5S)-5-GUANIDINO-4-ACYLAMINO-3-(PENTAN-3-YLOXY) CYCLOHEXENE-1-CARBOXYLIC ACIDS, ESTERS THEREOF AND A METHOD FOR THE USE THEREOF | Ivachtchenko, Alexandre Vasilevich (RU) | 2015-03-18 | — | — | EP | disclosed |
| US-8895613-B2 | Fluorosubstituted-(3R,4R,5S)-5-guanidino 4-acetamido-3-(pentan-3-yloxy)cyclohex-1-enecarboxylic acid compound, ester and use thereof | ALINDA CHEMICAL TRADE COMPANY LIMITED (HK) | 2014-11-25 | — | — | US | disclosed |
| US-20130303609-A1 | Fluorosubstituted-(3R,4R,5S)-5-guanidino 4-acetamido-3-(pentan-3-yloxy)cyclohex-1-enecarboxylic acid compound, ester and use thereof | ASAVI, LLC (US) | 2013-11-14 | — | — | US | disclosed |