⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3277502 | 0.77 | — | — | |
| SCHEMBL1088738 | 0.77 | — | — | |
| SCHEMBL8952078 | 0.76 | — | — | |
| SCHEMBL27563287 | 0.75 | — | — | |
| SCHEMBL16287778 | 0.75 | — | — | |
| SCHEMBL3929330 | 0.75 | — | — | |
| SCHEMBL25706 | 0.74 | ALDH1A1 (0.44) | — | |
| SCHEMBL24450003 | 0.73 | TSHR (0.42) | — | |
| SCHEMBL1088941 | 0.73 | — | — | |
| SCHEMBL246210 | 0.73 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11028057-B2 | Process for the synthesis of 6-chloromethyluracil | PROCOS S.P.A. (IT) | 2021-06-08 | — | — | US | disclosed |
| US-20200407330-A1 | PROCESS FOR THE SYNTHESIS OF 6-CHLOROMETHYLURACIL | PROCOS S.P.A. (IT) | 2020-12-31 | — | — | US | disclosed |
| US-4130649-A | Cyclohepta [B]pyridine-2-carboxylic acid derivatives | AYERST, MCKENNA & HARRISON LIMITED (CA) | 1978-12-19 | — | — | US | disclosed |