⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20519604 | 0.65 | — | — | |
| SCHEMBL23052913 | 0.65 | — | — | |
| SCHEMBL1745995 | 0.63 | — | — | |
| SCHEMBL575753 | 0.63 | — | — | |
| SCHEMBL10277 | 0.62 | — | — | |
| SCHEMBL576942 | 0.61 | — | — | |
| SCHEMBL576108 | 0.61 | — | — | |
| SCHEMBL11820757 | 0.59 | — | — | |
| SCHEMBL20148800 | 0.59 | — | — | |
| SCHEMBL11657648 | 0.59 | — | — |
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-2501236-B1 | N-[2-fluoro-3-(4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-phenyl]-4-benzenesulfonamide derivatives as Raf protein kinase modulators for the treatment of cancer | PLEXXIKON INC (US) | 2017-03-29 | — | — | EP | disclosed |