⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11023997 | 0.72 | — | — | |
| SCHEMBL171933 | 0.67 | — | — | |
| SCHEMBL4203556 | 0.66 | — | — | |
| SCHEMBL8382400 | 0.65 | — | — | |
| SCHEMBL7921025 | 0.65 | — | — | |
| SCHEMBL13262363 | 0.65 | — | — | |
| SCHEMBL8200102 | 0.64 | — | — | |
| SCHEMBL27765575 | 0.64 | — | — | |
| SCHEMBL2067142 | 0.63 | — | — | |
| SCHEMBL13009496 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101541801-A | Fused heterocyclic derivative and use thereof | TAKEDA PHARMACEUTICAL (JP) | 2009-09-23 | — | — | CN | disclosed |