⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2508060 | 0.94 | ALDH1A1 (0.54) | — | |
| SCHEMBL2507310 | 0.92 | ALDH1A1 (0.57) | — | |
| SCHEMBL1937353 | 0.86 | — | — | |
| SCHEMBL6505672 | 0.75 | CYP1A2 (0.46) | — | |
| SCHEMBL3679952 | 0.71 | — | — | |
| SCHEMBL336104 | 0.71 | — | — | |
| SCHEMBL49592 | 0.71 | — | — | |
| Ammonia Solution, Strong SCHEMBL941488 | 0.69 | — | — | |
| Fluoride SCHEMBL27505013 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL27531372 | 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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110245249-A1 | Heterocyclically Substituted Anilinopyrimidines | BAYER CROPSCIENCE AG (DE) | 2011-10-06 | — | — | US | claimed |
| US-8466176-B2 | Fungicide hydroximoyl-tetrazole derivatives | BAYER CROPSCIENCE AG (DE) | 2013-06-18 | — | — | US | disclosed |
| US-20110245249-A1 | Heterocyclically Substituted Anilinopyrimidines | BAYER CROPSCIENCE AG (DE) | 2011-10-06 | — | — | US | disclosed |
| US-20110105566-A1 | FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2011-05-05 | — | — | US | disclosed |
| CN-1114834-A | antidiabetic agent | OTSUKA PHARMA CO LTD (JP) | 1996-01-10 | — | — | CN | disclosed |
| EP-0670831-A1 | QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1995-09-13 | — | — | EP | disclosed |
| WO-1995009159-A1 | QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT | OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) | 1995-04-06 | — | — | WO | disclosed |