⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16517899 | 0.83 | CCNK (0.38) | — | |
| SCHEMBL1536818 | 0.75 | KIT (0.45) | — | |
| SCHEMBL2317117 | 0.75 | IKBKB (0.36) | — | |
| SCHEMBL2316874 | 0.75 | KIT (0.42) | — | |
| SCHEMBL12389804 | 0.74 | CCNB2 (0.48) | — | |
| SCHEMBL2315670 | 0.72 | CCNT1 (0.37) | — | |
| SCHEMBL2318685 | 0.72 | KIT (0.44) | — | |
| SCHEMBL2316035 | 0.71 | JAK2 (0.44) | — | |
| SCHEMBL2318637 | 0.71 | TBK1 (0.40) | — | |
| SCHEMBL2319679 | 0.71 | FGFR3 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2299821-B1 | TRICYCLIC COMPOUNDS | ABBVIE INC (US) | 2015-11-04 | — | — | EP | disclosed |