⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6058725 | 1.00 | — | — | |
| Acetic Acid SCHEMBL6909607 | 0.84 | FFAR3 (0.33) | — | |
| SCHEMBL28161197 | 0.78 | — | — | |
| SCHEMBL2276579 | 0.72 | — | — | |
| Bicarbonate SCHEMBL31651142 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL11717784 | 0.71 | — | — | |
| SCHEMBL1537145 | 0.69 | — | — | |
| SCHEMBL7580826 | 0.69 | — | — | |
| SCHEMBL1537143 | 0.69 | — | — | |
| SCHEMBL20136609 | 0.69 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105439818-A | Synthesis method of cinacalcet intermediate 3-(3-trifluoromethylphenyl) propanol | SUZHOU HUIHE PHARM CO LTD | 2016-03-30 | — | — | CN | claimed |
| CN-102532162-B | 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles | OTSUKA PHARMA CO LTD | 2015-05-27 | — | — | CN | disclosed |
| CN-101730677-B | Amine compound and pharmaceutical use thereof | MITSUBISHI TANABE PHARMA CORP | 2014-07-16 | — | — | CN | disclosed |
| CN-102532162-A | 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles | OTSUKA PHARMA CO LTD | 2012-07-04 | — | — | CN | disclosed |
| CN-101730677-A | Amine compound and pharmaceutical use thereof | MITSUBISHI TANABE PHARMA CORP | 2010-06-09 | — | — | CN | disclosed |
| CN-101255170-A | 2,3-dihydroimidazo[2,1-b]oxazole compound | OTSUKA PHARMA CO LTD (JP) | 2008-09-03 | — | — | CN | disclosed |
| CN-101172981-A | 2,3-dihydroimidazo[2,1-b]oxazole compound | OTSUKA PHARMA CO LTD (JP) | 2008-05-07 | — | — | CN | disclosed |
| CN-100366624-C | 2, 3-dihydro-6-nitroimidazo [2,1-b ] * azole compounds | OTSUKA PHARMA CO LTD (JP) | 2008-02-06 | — | — | CN | disclosed |
| EP-1631539-A1 | ESTERS OF ALLYL SUBSTITUTED BY A DIFLUOROMETHYLENE GROUP, METHOD FOR THE SYNTHESIS THEREOF AND USE THEREOF | RHODIA CHIMIE (FR) | 2006-03-08 | — | — | EP | disclosed |
| CN-1705670-A | 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds | OTSUKA PHARMA CO LTD (JP) | 2005-12-07 | — | — | CN | disclosed |
| WO-2004065347-A1 | ESTERS OF ALLYL SUBSTITUTED BY A DIFLUOROMETHYLENE GROUP, METHOD FOR THE SYNTHESIS THEREOF AND USE THEREOF | RHODIA CHIMIE (FR) | 2004-08-05 | — | — | WO | disclosed |