⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL656787 | 0.73 | ALDH1A1 (0.43) | — | |
| SCHEMBL1470219 | 0.73 | — | — | |
| SCHEMBL264826 | 0.73 | — | — | |
| SCHEMBL1060365 | 0.71 | ALDH1A1 (0.41) | — | |
| SCHEMBL12311361 | 0.69 | ALDH1A1 (0.53) | — | |
| SCHEMBL97351 | 0.69 | — | — | |
| SCHEMBL25998 | 0.69 | — | — | |
| SCHEMBL22395362 | 0.69 | ALDH1A1 (0.39) | — | |
| SCHEMBL676464 | 0.69 | — | — | |
| SCHEMBL10699637 | 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 |
|---|---|---|---|---|---|---|---|
| CN-109651424-A | A kind of simple synthesis of 7- protecting group -4- (1- hydrogen-pyrazoles -4- base) pyrroles [2,3-d] pyrimidine | 新发药业有限公司 | 2019-04-19 | — | — | CN | disclosed |