⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8098529 | 0.81 | TSHR (0.31) | — | |
| SCHEMBL1305504 | 0.73 | — | — | |
| SCHEMBL18321015 | 0.72 | — | — | |
| SCHEMBL5846242 | 0.70 | PTGS1 (0.33) | — | |
| SCHEMBL11884208 | 0.70 | — | — | |
| SCHEMBL4456499 | 0.70 | — | — | |
| SCHEMBL5846629 | 0.69 | — | — | |
| SCHEMBL1706676 | 0.68 | — | — | |
| SCHEMBL7138699 | 0.67 | GABBR2 (0.32) | — | |
| SCHEMBL4446823 | 0.67 | GABBR2 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1149092-B1 | 4- AND 5-ALKYNYLOXINDOLES AND 4- AND 5-ALKENYLOXINDOLES | HOFFMANN LA ROCHE (CH) | 2003-10-29 | — | — | EP | disclosed |
| US-6313310-B1 | JUN N-TERMINAL KINASE (JNK) ENZYME INHIBITORS; ANTIINFLAMMATORY AGENTS; RHEUMATIC ARTHRITIS AND NEURO-DEGENERATIVE DISEASE TREATMENT | HOFFMANN-LA ROCHE INC. | 2001-11-06 | — | — | US | disclosed |
| EP-1149092-A2 | 4- AND 5-ALKYNYLOXINDOLES AND 4- AND 5-ALKENYLOXINDOLES | F. HOFFMANN-LA ROCHE AG (CH) | 2001-10-31 | — | — | EP | disclosed |
| WO-2000035906-A2 | 4- AND 5-ALKYNYLOXINDOLES AND 4- AND 5-ALKENYLOXINDOLES | F. HOFFMANN-LA ROCHE AG (CH) | 2000-06-22 | — | — | WO | disclosed |