⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1467949 | 0.77 | — | — | |
| SCHEMBL5389147 | 0.74 | — | — | |
| 2,5-Thiophenedinitrile SCHEMBL996528 | 0.74 | — | — | |
| SCHEMBL21653993 | 0.74 | MAPK1 (0.34) | — | |
| SCHEMBL21654322 | 0.70 | MAPK1 (0.31) | — | |
| SCHEMBL9823473 | 0.70 | ALDH1A1 (0.35) | — | |
| SCHEMBL9197476 | 0.70 | ALDH1A1 (0.31) | — | |
| SCHEMBL131099 | 0.69 | — | — | |
| SCHEMBL10014437 | 0.68 | KMT2A (0.45) | — | |
| SCHEMBL13074418 | 0.67 | PGR (0.43) | — |
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-2569434-B1 | COMPOSITIONS AND METHODS FOR TREATING LEUKEMIA AND RELATED DISORDERS | DANA FARBER CANCER INST INC (US) | 2019-09-04 | — | — | EP | disclosed |