⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14361190 | 0.81 | LTA4H (0.57) | — | |
| SCHEMBL8155234 | 0.79 | — | — | |
| SCHEMBL28163876 | 0.78 | LTA4H (0.59) | — | |
| SCHEMBL9890 | 0.77 | — | — | |
| Bromide SCHEMBL5755866 | 0.76 | RAB9A (0.57) | — | |
| SCHEMBL28930254 | 0.76 | LTA4H (0.52) | — | |
| SCHEMBL7843486 | 0.75 | LTA4H (0.56) | — | |
| SCHEMBL28219911 | 0.74 | LTA4H (0.59) | — | |
| SCHEMBL1002382 | 0.74 | LTA4H (0.59) | — | |
| SCHEMBL28163856 | 0.74 | LTA4H (0.59) | — |
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-2021215537-A1 | 2-HETEROARYLAMINOQUINAZOLINONE DERIVATIVE | 大日本住友製薬株式会社 (JP) | 2021-10-28 | — | — | WO | disclosed |