⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25038288 | 0.66 | KDM4E (0.33) | — | |
| SCHEMBL25040854 | 0.60 | HSP90AA1 (0.33) | — | |
| SCHEMBL25040594 | 0.59 | MMP2 (0.55) | — | |
| SCHEMBL12676700 | 0.57 | ALDH1A1 (0.36) | — | |
| SCHEMBL13306010 | 0.56 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL16346219 | 0.54 | HSP90AA1 (0.32) | — | |
| SCHEMBL14514830 | 0.53 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL25040165 | 0.53 | KDM4E (0.30) | — | |
| SCHEMBL10143995 | 0.51 | NOTUM (0.52) | — | |
| SCHEMBL1917003 | 0.48 | HSP90AA1 (0.34) | — |
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-2023018215-A1 | METHOD FOR SYNTHESIZING BILIRUBIN | 주식회사 빌릭스 | 2023-02-16 | — | — | WO | disclosed |