⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23394 | 0.83 | FLT3 (0.32) | — | |
| SCHEMBL20035 | 0.76 | JAK2 (0.51) | — | |
| SCHEMBL15221144 | 0.74 | JAK2 (0.46) | — | |
| SCHEMBL19266 | 0.74 | KDR (0.48) | — | |
| SCHEMBL19619 | 0.73 | NUDT1 (0.44) | — | |
| SCHEMBL18952806 | 0.73 | — | — | |
| SCHEMBL18202835 | 0.72 | JAK1 (0.49) | — | |
| SCHEMBL20918 | 0.71 | FLT1 (0.42) | — | |
| SCHEMBL16394606 | 0.71 | CDK19 (0.44) | — | |
| SCHEMBL15210382 | 0.71 | JAK2 (0.53) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012025186-A1 | TRIAZOLOPYRAZINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2012-03-01 | — | — | WO | disclosed |