⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6831045 | 1.00 | — | — | |
| SCHEMBL251289 | 0.72 | — | — | |
| SCHEMBL20299109 | 0.69 | — | — | |
| SCHEMBL4709870 | 0.67 | — | — | |
| SCHEMBL2889398 | 0.67 | — | — | |
| SCHEMBL294654 | 0.67 | — | — | |
| SCHEMBL8678849 | 0.67 | — | — | |
| SCHEMBL584235 | 0.67 | — | — | |
| SCHEMBL28212799 | 0.67 | — | — | |
| SCHEMBL6801405 | 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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7402595-B2 | Enzyme inhibitors with isoquinolinone structures | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-07-22 | — | — | US | claimed |
| US-20050148624-A1 | Jnk inhibitor | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2005-07-07 | — | — | US | claimed |
| EP-1484320-A1 | JNK INHIBITOR | Takeda Chemical Industries, Ltd. (JP) | 2004-12-08 | — | — | EP | claimed |
| US-4161580-A | Thermosetting mixtures of polyimide beta-amino crotonic acid derivative and polyamine which are stable on storage | CIBA-GEIGY CORPORATION (US) | 1979-07-17 | — | — | US | claimed |
| US-7402595-B2 | Enzyme inhibitors with isoquinolinone structures | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-07-22 | — | — | US | disclosed |
| US-20050148624-A1 | Jnk inhibitor | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2005-07-07 | — | — | US | disclosed |
| EP-1484320-A1 | JNK INHIBITOR | Takeda Chemical Industries, Ltd. (JP) | 2004-12-08 | — | — | EP | disclosed |
| WO-1998008492-A1 | TRANSDERMAL DELIVERY OF PEPTIDES | NOVO NORDISK A/S (DK) | 1998-03-05 | — | — | WO | disclosed |
| US-4161580-A | Thermosetting mixtures of polyimide beta-amino crotonic acid derivative and polyamine which are stable on storage | CIBA-GEIGY CORPORATION (US) | 1979-07-17 | — | — | US | disclosed |
| US-4018771-A | Process for the production of 2-alkyl or 2-cycloalkyl-4-methyl-6-hydroxypyrimidines | CIBA-GEIGY CORPORATION (US) | 1977-04-19 | — | — | US | disclosed |