⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16025280 | 0.84 | — | — | |
| SCHEMBL13815121 | 0.78 | — | — | |
| SCHEMBL1917730 | 0.74 | — | — | |
| SCHEMBL15078765 | 0.73 | — | — | |
| SCHEMBL13074027 | 0.71 | — | — | |
| SCHEMBL16025311 | 0.71 | — | — | |
| SCHEMBL21413364 | 0.71 | ALDH1A1 (0.31) | — | |
| SCHEMBL18927637 | 0.71 | ALDH1A1 (0.31) | — | |
| SCHEMBL24080954 | 0.69 | KDM4E (0.30) | — | |
| SCHEMBL13907359 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3224354-B1 | ENGINEERED IMINE REDUCTASES AND METHODS FOR THE REDUCTIVE AMINATION OF KETONE AND AMINE COMPOUNDS | CODEXIS INC (US) | 2021-01-13 | — | — | EP | disclosed |
| WO-2016176457-A1 | IMIDAZOPYRAZINES AND PYRAZOLOPYRIMIDINES AND THEIR USE AS AMPA RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2016-11-03 | — | — | WO | disclosed |
| US-20150126505-A1 | IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE | AMBIT BIOSCIENCES CORP (US) | 2015-05-07 | — | — | US | disclosed |
| US-8921546-B2 | Imidazolothiazole compounds for the treatment of disease | AMBIT BIOSCIENCES CORPORATION (US) | 2014-12-30 | — | — | US | disclosed |
| WO-2014135495-A1 | ANTIVIRAL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2014-09-12 | — | — | WO | disclosed |
| US-20140243525-A1 | IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE | AMBIT BIOSCIENCES CORPORATION (US) | 2014-08-28 | — | — | US | disclosed |
| US-8557810-B2 | Imidazolothiazole compounds for the treatment of disease | AMBIT BIOSCIENCES CORPORATION (US) | 2013-10-15 | — | — | US | disclosed |
| US-20120129850-A1 | IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE | AMBIT BIOSCIENCES CORPORATION | 2012-05-24 | — | — | US | disclosed |