⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17778028 | 0.84 | CYP2C19 (0.50) | — | |
| SCHEMBL27872838 | 0.83 | — | — | |
| SCHEMBL4315116 | 0.81 | ALDH1A1 (0.45) | — | |
| SCHEMBL28000379 | 0.80 | CYP2C19 (0.50) | — | |
| SCHEMBL3282192 | 0.80 | — | — | |
| SCHEMBL4315299 | 0.78 | ALDH1A1 (0.47) | — | |
| Water SCHEMBL20657265 | 0.78 | CYP2C19 (0.41) | — | |
| SCHEMBL841906 | 0.77 | — | — | |
| SCHEMBL15033654 | 0.75 | TET2 (0.39) | — | |
| Hydrochloric Acid SCHEMBL3949159 | 0.74 | CYP2C19 (0.43) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230019236-A1 | PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF | CALICO LIFE SCIENCES LLC (US) | 2023-01-19 | — | — | US | disclosed |
| WO-2021045682-A1 | COLORIMETRIC METHOD FOR BACTERIA DETECTION | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2021-03-11 | — | — | WO | disclosed |
| US-20200299246-A1 | PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF | CALICO LIFE SCIENCES LLC (US) | 2020-09-24 | — | — | US | disclosed |
| CN-106458849-B | The manufacture method of copper compound, film formation raw material and film | 株式会社ADEKA | 2018-02-13 | — | — | CN | disclosed |
| US-9790221-B2 | Heteroaryl compounds as IRAK inhibitors and uses thereof | MERCK PATENT GMBH (DE) | 2017-10-17 | — | — | US | disclosed |
| CN-106458849-A | Copper compound, starting material for forming thin film and method for producing thin film | 株式会社ADEKA | 2017-02-22 | — | — | CN | disclosed |
| US-20080194629-A1 | 3-Mono-and 3,5-Disubstituted Piperidine Derivatives as Renin Inhibitors | BAESCHLIN DANIEL KASPAR | 2008-08-14 | — | — | US | disclosed |
| US-20080194629-A1 | 3-Mono-and 3,5-Disubstituted Piperidine Derivatives as Renin Inhibitors | BAESCHLIN DANIEL KASPAR | 2008-08-14 | — | — | US | disclosed |
| US-20080194629-A1 | 3-Mono-and 3,5-Disubstituted Piperidine Derivatives as Renin Inhibitors | BAESCHLIN DANIEL KASPAR | 2008-08-14 | — | — | US | disclosed |
| EP-1879882-A1 | 3 -M0N0- AND 3 , 5-DISUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS | Novartis AG (CH) | 2008-01-23 | — | — | EP | disclosed |
| WO-2006117183-A1 | 3 -M0N0- AND 3 , 5-DISUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS | NOVARTIS AG (CH) | 2006-11-09 | — | — | WO | disclosed |