⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6955104 | 0.82 | SLC6A3 (0.52) | — | |
| SCHEMBL2023423 | 0.80 | — | — | |
| SCHEMBL1839111 | 0.80 | — | — | |
| SCHEMBL16781686 | 0.80 | SLC6A2 (0.54) | — | |
| SCHEMBL29467531 | 0.80 | — | — | |
| SCHEMBL1131039 | 0.80 | SLC6A2 (0.54) | — | |
| Fluoride SCHEMBL28181322 | 0.78 | SLC6A2 (0.52) | — | |
| Methane SCHEMBL28543758 | 0.78 | SLC6A2 (0.52) | — | |
| Hydrochloric Acid SCHEMBL6775513 | 0.78 | SLC6A2 (0.52) | — | |
| SCHEMBL751028 | 0.76 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105218523-B | Pyridine derivate PIM kinase inhibitor and preparation method thereof and the application in pharmacy | 上海吉铠医药科技有限公司 | 2019-08-23 | — | — | CN | disclosed |
| CN-105218523-A | Pyridine derivate PIM kinase inhibitor and preparation method thereof and the application in pharmacy | SHANGHAI JIKAI PHARMACEUTICAL TECHNOLOGY CO LTD | 2016-01-06 | — | — | CN | disclosed |
| CN-103214464-A | Tetrazole-substituted arylamides as p2x3 and p2x2/3 antagonists | HOFFMANN LA ROCHE | 2013-07-24 | — | — | CN | disclosed |
| CN-101903362-B | Tetrazole-substituted arylamide derivatives and their use as P2X3 and/or P2X2/3 purinergic receptor antagonists | HOFFMANN LA ROCHE | 2013-07-17 | — | — | CN | disclosed |
| CN-101903362-A | Tetrazole substituted arylamide derivatives and their use as P2X3And/or P2X2/3Use of purinergic receptor antagonists | HOFFMANN LA ROCHE | 2010-12-01 | — | — | CN | disclosed |
| CN-100432086-C | Fluorination process | MITSUBISHI GAS CHEMICAL CO (JP) | 2008-11-12 | — | — | CN | disclosed |
| CN-1974588-A | Fluorination process | MITSUBISHI GAS CHEMICAL CO (JP) | 2007-06-06 | — | — | CN | disclosed |
| CN-1720256-A | Fluorination process | MITSUBISHI GAS CHEMICAL CO (JP) | 2006-01-11 | — | — | CN | disclosed |