⚠ 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 | |
|---|---|---|---|---|
| Ether SCHEMBL1766202 | 0.82 | — | — | |
| Ether SCHEMBL8349382 | 0.82 | ALDH1A1 (0.50) | — | |
| Ether SCHEMBL7435965 | 0.82 | ALDH1A1 (0.50) | — | |
| Ether SCHEMBL135123 | 0.82 | — | — | |
| Ether SCHEMBL21406 | 0.82 | ALDH1A1 (0.47) | — | |
| Ether SCHEMBL6 | 0.82 | — | — | |
| Ether SCHEMBL9248674 | 0.82 | ALDH1A1 (0.47) | — | |
| Ether SCHEMBL9248046 | 0.82 | ALDH1A1 (0.47) | — | |
| Ether SCHEMBL8160191 | 0.82 | ALDH1A1 (0.47) | — | |
| Ether SCHEMBL9688867 | 0.78 | ALDH1A1 (0.56) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3423043-A1 | MULTI DRUG COMPOSITE, PREPARATION METHODS AND USES THEREOF | Yissum Research Development Company of the Hebrew University of Jerusalem Ltd. (IL) | 2019-01-09 | — | — | EP | disclosed |
| US-8022235-B2 | Compositions of phospholipid ether boronic acids and esters and methods for their synthesis and use | CELLECTAR, INC. (US) | 2011-09-20 | — | — | US | disclosed |
| US-8022235-B2 | Compositions of phospholipid ether boronic acids and esters and methods for their synthesis and use | CELLECTAR, INC. (US) | 2011-09-20 | — | — | US | disclosed |
| US-20090018357-A1 | Compositions of phospholipid ether boronic acids and esters and methods for their synthesis and use | CELL ACQUISITION CORP. | 2009-01-15 | — | — | US | disclosed |
| WO-2008150439-A1 | COMPOSITIONS OF PHOSPHOLIPID ETHER BORONIC ACIDS AND ESTERS AND METHODS FOR THEIR SYNTHESIS AND USE | CELLECTAR, INC. (US) | 2008-12-11 | — | — | WO | disclosed |
| WO-2008150439-A1 | COMPOSITIONS OF PHOSPHOLIPID ETHER BORONIC ACIDS AND ESTERS AND METHODS FOR THEIR SYNTHESIS AND USE | CELLECTAR, INC. (US) | 2008-12-11 | — | — | WO | disclosed |
| WO-2008103016-A1 | ATORVASTATIN INTERMEDIATES AND METHOD FOR PRODUCING THE SAME | SUNGWUN PHARMACOPIA CORPORATION (KR) | 2008-08-28 | — | — | WO | disclosed |
| WO-2006076008-A2 | NEURAL STIMULATION DEVICE EMPLOYING RENEWABLE CHEMICAL STIMULATION | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2006-07-20 | — | — | WO | disclosed |
| US-20060009805-A1 | Neural stimulation device employing renewable chemical stimulation | MASSACHUSETTS INSTITUTE OF TECHNOLOGY | 2006-01-12 | — | — | US | disclosed |