⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20179865 | 0.83 | — | — | |
| SCHEMBL21190948 | 0.81 | — | — | |
| SCHEMBL22329101 | 0.74 | PTGIR (0.32) | — | |
| SCHEMBL22329075 | 0.74 | ALDH1A1 (0.31) | — | |
| SCHEMBL25153265 | 0.73 | APLNR (0.48) | — | |
| SCHEMBL21146618 | 0.72 | — | — | |
| SCHEMBL22329081 | 0.71 | IL1B (0.30) | — | |
| SCHEMBL22329112 | 0.71 | — | — | |
| SCHEMBL25076302 | 0.70 | S1PR1 (0.36) | — | |
| SCHEMBL21191213 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20200253971-A1 | DIHYDROPYRIMIDINE COMPOUND AND PREPARATION METHOD AND USE THEREOF | SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) | 2020-08-13 | — | — | US | disclosed |