⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6557169 | 0.79 | TSHR (0.40) | — | |
| SCHEMBL911033 | 0.79 | — | — | |
| SCHEMBL84277 | 0.77 | — | — | |
| SCHEMBL64376 | 0.74 | — | — | |
| SCHEMBL31217853 | 0.74 | TSHR (0.47) | — | |
| SCHEMBL11452391 | 0.74 | — | — | |
| SCHEMBL1445280 | 0.74 | — | — | |
| SCHEMBL1883675 | 0.74 | — | — | |
| SCHEMBL28009206 | 0.73 | — | — | |
| SCHEMBL4557324 | 0.72 | — | — |
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-111727185-A | Substituted N-heterocyclyl-and N-heteroaryltetrahydropyrimidines and their salts and their use as herbicidal active substances | 拜耳公司 | 2020-09-29 | — | — | CN | claimed |
| CN-111727185-A | Substituted N-heterocyclyl-and N-heteroaryltetrahydropyrimidines and their salts and their use as herbicidal active substances | 拜耳公司 | 2020-09-29 | — | — | CN | disclosed |