⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28399241 | 0.98 | GABRA1 (0.31) | — | |
| SCHEMBL28653599 | 0.93 | — | — | |
| SCHEMBL518713 | 0.86 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL519804 | 0.86 | CXCR4 (0.35) | — | |
| SCHEMBL13471186 | 0.81 | — | — | |
| SCHEMBL519522 | 0.81 | — | — | |
| SCHEMBL2262060 | 0.81 | — | — | |
| SCHEMBL6020803 | 0.80 | — | — | |
| SCHEMBL6634396 | 0.77 | — | — | |
| SCHEMBL294999 | 0.77 | — | — |
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 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114957163-A | Preparation method of N-methyl homopiperazine | 合肥亿帆生物制药有限公司 | 2022-08-30 | — | — | CN | claimed |
| CN-111116498-A | Preparation method of homopiperazine-5-ketone hydrochloride | 苏州汉德创宏生化科技有限公司 | 2020-05-08 | — | — | CN | claimed |
| CN-109843891-A | Oxadiazolopyridine derivatives as ghrelin O-acyltransferase (GOAT) inhibitors | 勃林格殷格翰国际有限公司 | 2019-06-04 | — | — | CN | claimed |
| CN-106084371-B | A kind of fire-retardant carbon forming agent compound of halogen-free polyolefin and preparation method thereof | 浙江旭森非卤消烟阻燃剂有限公司 | 2018-10-30 | — | — | CN | claimed |
| CN-106084286-B | A kind of halogen-free expansion type flame-proof carbon forming agent compound and preparation method thereof | 浙江旭森非卤消烟阻燃剂有限公司 | 2018-10-30 | — | — | CN | claimed |
| CN-106366670-A | Macromolecule flame retardant containing P, SI, S and N elements and preparation method thereof | 浙江旭森非卤消烟阻燃剂有限公司 | 2017-02-01 | — | — | CN | claimed |
| CN-106084286-A | A kind of halogen-free expansion type flame-proof carbon forming agent compound and preparation method thereof | 浙江旭森非卤消烟阻燃剂有限公司 | 2016-11-09 | — | — | CN | claimed |
| CN-106084371-A | A kind of halogen-free polyolefin fire-retardant carbon forming agent compound and preparation method thereof | 浙江旭森非卤消烟阻燃剂有限公司 | 2016-11-09 | — | — | CN | claimed |
| CN-116924985-A | Preparation method of fasudil | 山东新时代药业有限公司 | 2023-10-24 | — | — | CN | disclosed |
| CN-114957163-A | Preparation method of N-methyl homopiperazine | 合肥亿帆生物制药有限公司 | 2022-08-30 | — | — | CN | disclosed |
| CN-111116498-A | Preparation method of homopiperazine-5-ketone hydrochloride | 苏州汉德创宏生化科技有限公司 | 2020-05-08 | — | — | CN | disclosed |
| CN-111116498-A | Preparation method of homopiperazine-5-ketone hydrochloride | 苏州汉德创宏生化科技有限公司 | 2020-05-08 | — | — | CN | disclosed |
| CN-105814043-B | Triazolopyridine derivatives as TNF active regulator | UCB生物制药私人有限公司 | 2019-05-17 | — | — | CN | disclosed |
| CN-105814049-B | Fused tricyclic imdazole derivatives as TNF active regulator | UCB生物制药私人有限公司 | 2019-03-12 | — | — | CN | disclosed |
| CN-105814049-A | Fused tricyclic imidazole derivatives as modulators of TNF activity | UCB生物制药私人有限公司 | 2016-07-27 | — | — | CN | disclosed |
| CN-105814051-A | Tetrahydroimidazopyridine derivatives as modulators of TNF activity | UCB生物制药私人有限公司 | 2016-07-27 | — | — | CN | disclosed |
| CN-105814065-A | Imidazothiazole derivatives as modulators of TNF activity | UCB生物制药私人有限公司 | 2016-07-27 | — | — | CN | disclosed |
| US-9029536-B2 | Fused heterocyclic compounds | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-05-12 | — | — | US | disclosed |
| US-20130172292-A1 | FUSED HETEROCYCLIC COMPOUNDS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-07-04 | — | — | US | disclosed |
| CN-102482287-A | 3-heteroarylmethyl-imidazo [1,2-B ] pyridazin-6-yl derivatives as modulators of C-Met tyrosine kinase | NOVARTIS AG | 2012-05-30 | — | — | CN | disclosed |