⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6613677 | 0.78 | — | — | |
| SCHEMBL5275181 | 0.78 | — | — | |
| SCHEMBL5275187 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL2324401 | 0.77 | APEX1 (0.50) | — | |
| SCHEMBL6050540 | 0.75 | HTR1A (0.48) | — | |
| SCHEMBL6050534 | 0.75 | HTR1A (0.48) | — | |
| SCHEMBL22660797 | 0.75 | HTR1A (0.48) | — | |
| SCHEMBL20328822 | 0.75 | HTR1A (0.44) | — | |
| SCHEMBL25309844 | 0.74 | — | — | |
| SCHEMBL27916032 | 0.74 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103429593-B | Imidazopyrazines | HOFFMAN-LA ROCHE LTD. (CH) | 2015-09-09 | — | — | CN | disclosed |
| CN-103429593-A | Imidazo pyrazines | HOFFMANN LA ROCHE | 2013-12-04 | — | — | CN | disclosed |
| EP-1337528-A2 | BENZOTHIOPHENE DERIVATIVE COMPOUNDS, PROCESS OF PREPARATION AND USE THEREOF | LABORATORIOS VITA, S.A. (ES) | 2003-08-27 | — | — | EP | disclosed |
| WO-2002044170-A2 | BENZOTHIOPHENE DERIVATIVE COMPOUNDS, PROCESS OF PREPARATION AND USE THEREOF | LABORATORIOS VITA, S.A. (ES) | 2002-06-06 | — | — | WO | disclosed |