⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16627502 | 1.00 | — | — | |
| SCHEMBL20331348 | 0.91 | — | — | |
| SCHEMBL16627501 | 0.91 | — | — | |
| SCHEMBL18849632 | 0.85 | — | — | |
| SCHEMBL18849691 | 0.83 | MAPT (0.31) | — | |
| SCHEMBL24846173 | 0.78 | TACR1 (0.32) | — | |
| SCHEMBL31673193 | 0.78 | TACR1 (0.32) | — | |
| SCHEMBL31673168 | 0.78 | TACR1 (0.32) | — | |
| SCHEMBL31691904 | 0.74 | — | — | |
| SCHEMBL5954051 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023099381-A1 | (1,4,5-TRISUBSTITUTED-1H-PYRAZOLE-3-YL)OXY-2-ALKOXYTHIO ALKYL ACIDS AND DERIVATIVES THEREOF, THEIR SALTS AND THEIR USE AS HERBICIDAL ACTIVE AGENTS | BAYER AKTIENGESELLSCHAFT (DE) | 2023-06-08 | — | — | WO | disclosed |
| WO-2021013799-A1 | SUBSTITUTED N-PHENYL URACILS, SALTS THEREOF AND THEIR USE AS HERBICIDAL AGENTS | BAYER AKTIENGESELLSCHAFT (DE) | 2021-01-28 | — | — | WO | disclosed |