⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3188625 | 0.78 | — | — | |
| SCHEMBL12441774 | 0.77 | MAPT (0.35) | — | |
| SCHEMBL29793430 | 0.77 | ALDH1A1 (0.37) | — | |
| SCHEMBL1187005 | 0.76 | — | — | |
| SCHEMBL3187131 | 0.74 | — | — | |
| SCHEMBL11825958 | 0.74 | — | — | |
| SCHEMBL10871427 | 0.74 | TYMS (0.43) | — | |
| SCHEMBL15569774 | 0.72 | CA2 (0.37) | — | |
| SCHEMBL9517067 | 0.71 | ADRA2A (0.33) | — | |
| SCHEMBL9517071 | 0.71 | NPC1 (0.33) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103275014-B | Containing compound, the Preparation Method And The Use of five yuan of azoles ring tetrazo structures | YANGCHENG INSTITUTE OF TECHNOLOGY (CN) | 2015-09-23 | — | — | CN | claimed |
| CN-102875475-B | Compound containing five-membered azole ring azo structure and preparation method and application thereof | YANCHENG INST TECHNOLOGY | 2015-02-04 | — | — | CN | claimed |
| CN-103275014-A | Compound containing pentazole ring bisazo structure, as well as preparation method and application thereof | YANCHENG INST TECHNOLOGY | 2013-09-04 | — | — | CN | claimed |
| CN-102875475-A | Compound containing five-membered azole ring azo structure and preparation method and application thereof | YANCHENG INST TECHNOLOGY | 2013-01-16 | — | — | CN | claimed |
| CN-108264507-B | Preparation method and application of 6-phenethyl-4-hydroxy-2 (1H) -pyridone-3-formamide derivative | 北京大学 | 2021-02-23 | — | — | CN | disclosed |
| CN-103275014-B | Containing compound, the Preparation Method And The Use of five yuan of azoles ring tetrazo structures | YANGCHENG INSTITUTE OF TECHNOLOGY (CN) | 2015-09-23 | — | — | CN | disclosed |
| CN-102875475-B | Compound containing five-membered azole ring azo structure and preparation method and application thereof | YANCHENG INST TECHNOLOGY | 2015-02-04 | — | — | CN | disclosed |
| CN-103275014-A | Compound containing pentazole ring bisazo structure, as well as preparation method and application thereof | YANCHENG INST TECHNOLOGY | 2013-09-04 | — | — | CN | disclosed |
| CN-102875475-A | Compound containing five-membered azole ring azo structure and preparation method and application thereof | YANCHENG INST TECHNOLOGY | 2013-01-16 | — | — | CN | disclosed |
| US-5026694-A | Antitumor agents | THE BRITISH COLUMBIA CANCER FOUNDATION (CA) | 1991-06-25 | — | — | US | disclosed |