⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24558259 | 0.81 | TARBP2 (0.39) | — | |
| SCHEMBL29693104 | 0.76 | HSD17B10 (0.34) | — | |
| SCHEMBL22035479 | 0.62 | AKR1B1 (0.32) | — | |
| SCHEMBL20301665 | 0.61 | CFTR (0.45) | — | |
| SCHEMBL1711432 | 0.60 | ALDH1A1 (0.39) | — | |
| SCHEMBL31586624 | 0.60 | ALDH1A1 (0.39) | — | |
| SCHEMBL20745291 | 0.60 | HSD17B10 (0.40) | — | |
| SCHEMBL28230571 | 0.60 | PIM1 (0.42) | — | |
| SCHEMBL7587086 | 0.59 | KEAP1 (0.48) | — | |
| SCHEMBL1661495 | 0.59 | KDM4E (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20220204527-A1 | FUSED TRICYCLIC COMPOUNDS USEFUL AS ANTICANCER AGENTS | ASTRAZENECA UK LIMITED (GB) | 2022-06-30 | — | — | US | disclosed |