⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25187216 | 0.80 | — | — | |
| SCHEMBL18529415 | 0.69 | KMT2A (0.48) | — | |
| SCHEMBL28520503 | 0.69 | — | — | |
| SCHEMBL18528951 | 0.69 | KMT2A (0.48) | — | |
| SCHEMBL10742587 | 0.69 | KMT2A (0.48) | — | |
| SCHEMBL346344 | 0.68 | — | — | |
| SCHEMBL3470538 | 0.67 | — | — | |
| SCHEMBL20183936 | 0.66 | — | — | |
| SCHEMBL1239233 | 0.66 | — | — | |
| SCHEMBL6129675 | 0.65 | — | — |
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-1431275-B1 | DIARYL ETHER DERIVATIVE, ADDITION SALT THEREOF, AND IMMUNOSUPPRESSANT | KYORIN SEIYAKU KK (JP) | 2010-04-07 | — | — | EP | disclosed |