⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11430465 | 0.97 | ALDH1A1 (0.39) | — | |
| SCHEMBL3071459 | 0.77 | ALDH1A1 (0.39) | — | |
| SCHEMBL11433148 | 0.75 | MMP1 (0.39) | — | |
| SCHEMBL11606913 | 0.73 | ALDH1A1 (0.36) | — | |
| Hydrochloric Acid SCHEMBL10952004 | 0.72 | ALDH1A1 (0.35) | — | |
| SCHEMBL2179946 | 0.71 | — | — | |
| SCHEMBL10981869 | 0.69 | ALDH1A1 (0.39) | — | |
| SCHEMBL10350049 | 0.69 | — | — | |
| SCHEMBL11445681 | 0.69 | MMP1 (0.34) | — | |
| SCHEMBL13385631 | 0.68 | — | — |
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-2023062434-A1 | A METHOD FOR CONTROLLING THE GROWTH OF UNDESIRABLE VEGETATION | UPL LIMITED (IN) | 2023-04-20 | — | — | WO | claimed |
| EP-0100528-A2 | Derivatives of (di)-thiophosphoric and (di)-thiophosphonic acids, process for their preparation, compositions containing them and their use in plant protection | HOECHST AKTIENGESELLSCHAFT (DE) | 1984-02-15 | — | — | EP | disclosed |