⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8215728 | 0.69 | CYP1A2 (0.41) | — | |
| SCHEMBL9115571 | 0.69 | — | — | |
| SCHEMBL3246380 | 0.67 | — | — | |
| SCHEMBL15236107 | 0.65 | — | — | |
| SCHEMBL16701285 | 0.65 | — | — | |
| SCHEMBL28126804 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL28087942 | 0.63 | — | — | |
| SCHEMBL21501079 | 0.63 | — | — | |
| SCHEMBL11274107 | 0.61 | — | — | |
| SCHEMBL28574281 | 0.61 | — | — |
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 3 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 | 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 |