⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5389006 | 0.91 | DRD1 (0.30) | — | |
| SCHEMBL5377684 | 0.89 | DRD1 (0.30) | — | |
| SCHEMBL5373954 | 0.80 | USP2 (0.32) | — | |
| SCHEMBL5378693 | 0.79 | RXRA (0.30) | — | |
| SCHEMBL5378343 | 0.78 | USP2 (0.32) | — | |
| SCHEMBL5386470 | 0.78 | DRD1 (0.30) | — | |
| SCHEMBL5379406 | 0.78 | DRD1 (0.30) | — | |
| SCHEMBL5398150 | 0.77 | DGAT2 (0.32) | — | |
| SCHEMBL5383116 | 0.77 | — | — | |
| SCHEMBL5372800 | 0.77 | MCL1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6897231-B2 | Indazole derivatives as JNK inhibitors and compositions and methods related thereto | SIGNAL PHARMACEUTICALS, INC. (US) | 2005-05-24 | — | — | US | disclosed |
| US-20020103229-A1 | Indazole derivatives as JNK inhibitors and compositions and methods related thereto | SIGNAL PHARMACEUTICALS, LLC | 2002-08-01 | — | — | US | disclosed |