⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3606043 | 0.77 | — | — | |
| SCHEMBL3298879 | 0.74 | S1PR4 (0.32) | — | |
| SCHEMBL17820575 | 0.73 | — | — | |
| SCHEMBL12153420 | 0.73 | — | — | |
| SCHEMBL6118357 | 0.73 | — | — | |
| SCHEMBL15895199 | 0.71 | KMO (0.45) | — | |
| SCHEMBL17819972 | 0.70 | SORD (0.41) | — | |
| SCHEMBL3299995 | 0.64 | KCNH2 (0.50) | — | |
| SCHEMBL4428210 | 0.64 | ADRB1 (0.43) | — | |
| SCHEMBL9779778 | 0.64 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130274227-A1 | 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS | AXIKIN PHARMACEUTICALS, INC. (US) | 2013-10-17 | — | — | US | disclosed |