⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL503581 | 0.74 | — | — | |
| SCHEMBL1695819 | 0.74 | — | — | |
| SCHEMBL422706 | 0.72 | — | — | |
| SCHEMBL9830235 | 0.72 | — | — | |
| SCHEMBL14655242 | 0.67 | KDM4E (0.35) | — | |
| SCHEMBL27897026 | 0.67 | — | — | |
| SCHEMBL27363178 | 0.67 | — | — | |
| SCHEMBL1515294 | 0.67 | HCAR2 (0.42) | — | |
| Bicarbonate SCHEMBL31651142 | 0.65 | ALDH1A1 (0.33) | — | |
| SCHEMBL1632013 | 0.63 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210061775-A1 | ISOXAZOLINE COMPOSITIONS AND THEIR USE AS ANTIPARASITICS | INTERVET INC. (US) | 2021-03-04 | — | — | US | claimed |
| EP-2763990-B1 | PYRROLOPYRAZINE KINASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2017-02-22 | — | — | EP | claimed |
| US-8658646-B2 | Pyrrolopyrazine kinase inhibitors | HOFFMANN-LAROCHE INC. (US) | 2014-02-25 | — | — | US | claimed |
| EP-2763990-B1 | PYRROLOPYRAZINE KINASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2017-02-22 | — | — | EP | disclosed |
| US-8658646-B2 | Pyrrolopyrazine kinase inhibitors | HOFFMANN-LAROCHE INC. (US) | 2014-02-25 | — | — | US | disclosed |
| US-20130059834-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | HOFFMANN-LA ROCHE INC. | 2013-03-07 | — | — | US | disclosed |
| US-20120020920-A1 | 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR | JAPAN TOBACCO INC. (JP) | 2012-01-26 | — | — | US | disclosed |