⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29557409 | 0.77 | GAA (0.30) | — | |
| SCHEMBL16416996 | 0.77 | — | — | |
| SCHEMBL29370447 | 0.77 | — | — | |
| SCHEMBL16416997 | 0.77 | — | — | |
| SCHEMBL28547037 | 0.75 | SIGMAR1 (0.33) | — | |
| SCHEMBL4429601 | 0.73 | CYP3A4 (0.35) | — | |
| SCHEMBL30631573 | 0.70 | F10 (0.30) | — | |
| SCHEMBL28456082 | 0.70 | DHODH (0.31) | — | |
| SCHEMBL29370443 | 0.66 | — | — | |
| SCHEMBL17144538 | 0.66 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112912374-A | Oxocyclobutylphenoxyquinolines and analogs | 拜耳公司 | 2021-06-04 | — | — | CN | disclosed |
| CN-112702913-A | Controlled release formulations for agrochemicals | 拜耳公司 | 2021-04-23 | — | — | CN | disclosed |