⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22309117 | 0.88 | SOS1 (0.31) | — | |
| SCHEMBL19342127 | 0.88 | SOS1 (0.31) | — | |
| SCHEMBL25165189 | 0.85 | — | — | |
| SCHEMBL19157965 | 0.81 | — | — | |
| SCHEMBL15679553 | 0.76 | SOS1 (0.30) | — | |
| SCHEMBL19852577 | 0.71 | SOS1 (0.31) | — | |
| SCHEMBL20154526 | 0.71 | GRIN2D (0.39) | — | |
| SCHEMBL18712891 | 0.71 | CYP2D6 (0.39) | — | |
| SCHEMBL24308693 | 0.69 | — | — | |
| SCHEMBL20353486 | 0.68 | — | — |
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-3919484-B1 | HEXONE GLUCOKINASE INHIBITOR AND USE THEREOF | SHANDONG XUANZHU PHARMA CO LTD (CN) | 2023-05-24 | — | — | EP | disclosed |