⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16627551 | 1.00 | — | — | |
| SCHEMBL16627538 | 0.95 | MAPT (0.32) | — | |
| SCHEMBL16627537 | 0.95 | — | — | |
| SCHEMBL24409073 | 0.95 | MAPT (0.32) | — | |
| SCHEMBL20671473 | 0.95 | — | — | |
| SCHEMBL16627539 | 0.92 | MAPT (0.31) | — | |
| SCHEMBL20320377 | 0.92 | MAPT (0.31) | — | |
| SCHEMBL21399775 | 0.90 | — | — | |
| SCHEMBL16627525 | 0.90 | — | — | |
| SCHEMBL31699718 | 0.88 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023161172-A1 | SUBSTITUTED N-BENZOIC ACID URACILS AND SALTS THEREOF, AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES | BAYER AKTIENGESELLSCHAFT (DE) | 2023-08-31 | — | — | WO | disclosed |
| 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-2022096450-A1 | USE OF [(1,5-DIPHENYL-1H-PYRAZOL-3-YL)OXY] ACETIC ACID DERIVATIVES AND THEIR SALTS AND COMPOSITIONS CONTAINING THEM, FOR REDUCING PHYTOTOXIC EFFECTS OF AGROCHEMICALS, IN PARTICULAR OF HERBICIDES, IN USEFUL PLANTS AND CROP PLANTS | BAYER AKTIENGESELLSCHAFT (DE) | 2022-05-12 | — | — | WO | disclosed |