⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12499651 | 1.00 | — | — | |
| SCHEMBL13986819 | 1.00 | — | — | |
| SCHEMBL24510485 | 1.00 | — | — | |
| SCHEMBL24509726 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL4806967 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL4806973 | 0.98 | — | — | |
| SCHEMBL655503 | 0.88 | SLC6A1 (0.35) | — | |
| SCHEMBL16042628 | 0.85 | — | — | |
| Trifluoroacetic Acid SCHEMBL28778749 | 0.85 | PRCP (0.35) | — | |
| Trifluoroacetic Acid SCHEMBL28778637 | 0.85 | PRCP (0.35) | — |
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-2022121844-A1 | DIHYDROPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF | 上海维申医药有限公司 | 2022-06-16 | — | — | WO | disclosed |