⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3725301 | 0.80 | — | — | |
| SCHEMBL14595661 | 0.77 | — | — | |
| SCHEMBL22211302 | 0.73 | — | — | |
| SCHEMBL10715417 | 0.71 | EPHX1 (0.55) | — | |
| SCHEMBL13771430 | 0.70 | — | — | |
| SCHEMBL16474057 | 0.70 | — | — | |
| SCHEMBL1104746 | 0.70 | — | — | |
| SCHEMBL22343562 | 0.70 | SLC13A3 (0.31) | — | |
| SCHEMBL5297609 | 0.69 | — | — | |
| SCHEMBL25657895 | 0.68 | TSHR (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070060582-A1 | 1,4-Disubstituted isoquinilone derivatives as raf-kinase inhibitors useful for the treatment of proliferative diseases | FINK CYNTHIA A | 2007-03-15 | — | — | US | disclosed |