⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9341334 | 0.80 | — | — | |
| SCHEMBL9341323 | 0.80 | — | — | |
| SCHEMBL924549 | 0.80 | — | — | |
| SCHEMBL2813868 | 0.71 | — | — | |
| SCHEMBL11051102 | 0.69 | — | — | |
| SCHEMBL10801975 | 0.69 | — | — | |
| Water SCHEMBL8847349 | 0.67 | — | — | |
| SCHEMBL22242554 | 0.67 | — | — | |
| SCHEMBL244971 | 0.67 | — | — | |
| SCHEMBL244972 | 0.67 | THRB (0.31) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105906514-A | Preparation method of amino aminoacetaldehyde dimethyl acetal | 福建万科药业有限公司 | 2016-08-31 | — | — | CN | disclosed |
| CN-105906514-A | Preparation method of amino aminoacetaldehyde dimethyl acetal | 福建万科药业有限公司 | 2016-08-31 | — | — | CN | disclosed |
| US-8217031-B2 | Heteroaryl derivatives | NIPPON SHINYAKU CO., LTD. (JP) | 2012-07-10 | — | — | US | disclosed |
| US-20100048537-A1 | HETEROARYL DERIVATIVES | NIPPON SHINYAKU CO., LTD. (JP) | 2010-02-25 | — | — | US | disclosed |
| EP-0839059-B1 | CARDIOTROPIC RADIOPHARMACEUTICALS COMPRISING A TRANSITION METAL NITRIDE COMPLEX AND HAVING RAPID MYOCARDIAL CLEARANCE | CIS BIO INT (FR) | 2002-04-17 | — | — | EP | disclosed |
| EP-0839059-A1 | CARDIOTROPIC RADIOPHARMACEUTICALS COMPRISING A TRANSITION METAL NITRIDE COMPLEX AND HAVING RAPID MYOCARDIAL CLEARANCE | CIS BIO INTERNATIONAL (FR) | 1998-05-06 | — | — | EP | disclosed |
| WO-1997003705-A1 | CARDIOTROPIC RADIOPHARMACEUTICALS COMPRISING A TRANSITION METAL NITRIDE COMPLEX AND HAVING RAPID MYOCARDIAL CLEARANCE | CIS BIO INTERNATIONAL (FR) | 1997-02-06 | — | — | WO | disclosed |