⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21974886 | 0.78 | POLB (0.30) | — | |
| SCHEMBL21974885 | 0.78 | POLB (0.30) | — | |
| SCHEMBL11610208 | 0.78 | TSHR (0.40) | — | |
| SCHEMBL2625556 | 0.78 | — | — | |
| SCHEMBL19151135 | 0.74 | — | — | |
| SCHEMBL13035717 | 0.74 | POLB (0.38) | — | |
| Formic Acid SCHEMBL27730457 | 0.73 | TSHR (0.38) | — | |
| Benzene SCHEMBL11582269 | 0.72 | ALDH1A1 (0.46) | — | |
| SCHEMBL21275787 | 0.72 | ALDH1A1 (0.43) | — | |
| SCHEMBL18993720 | 0.72 | TSHR (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3853219-B1 | HERBICIDALLY ACTIVE SUBSTITUTED PHENYLPYRIMIDINE HYDRAZIDES | BAYER AG (DE) | 2023-07-12 | — | — | EP | disclosed |
| WO-2020058062-A1 | HERBICIDALLY ACTIVE SUBSTITUTED PHENYLPYRIMIDINE HYDRAZIDES | BAYER AKTIENGESELLSCHAFT (DE) | 2020-03-26 | — | — | WO | disclosed |