⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23355321 | 0.81 | GCK (0.32) | — | |
| SCHEMBL28527025 | 0.79 | — | — | |
| SCHEMBL28513510 | 0.78 | CA1 (0.33) | — | |
| SCHEMBL28526949 | 0.75 | MAP3K14 (0.33) | — | |
| SCHEMBL28527024 | 0.73 | EIF4E (0.34) | — | |
| SCHEMBL28537439 | 0.72 | ATR (0.32) | — | |
| SCHEMBL28736211 | 0.68 | LIPG (0.36) | — | |
| SCHEMBL24926749 | 0.65 | BRAF (0.41) | — | |
| SCHEMBL28522616 | 0.65 | POLB (0.33) | — | |
| SCHEMBL31616697 | 0.65 | BACE1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-112334460-A | Biaryl ether type quinazoline derivative | 第一三共株式会社 | 2021-02-05 | — | — | CN | disclosed |