⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9765157 | 0.86 | PPOX (0.40) | — | |
| SCHEMBL9765150 | 0.86 | PPOX (0.41) | — | |
| SCHEMBL9765231 | 0.84 | PPOX (0.40) | — | |
| SCHEMBL9765184 | 0.84 | PPOX (0.44) | — | |
| SCHEMBL9765198 | 0.83 | GRM7 (0.43) | — | |
| SCHEMBL9765189 | 0.80 | GRM7 (0.38) | — | |
| SCHEMBL9765228 | 0.79 | GRM7 (0.40) | — | |
| SCHEMBL9765171 | 0.78 | PPOX (0.38) | — | |
| SCHEMBL9765222 | 0.76 | GRM7 (0.41) | — | |
| SCHEMBL9765168 | 0.74 | GRM7 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0233151-B1 | ESTERS AS HERBICIDES | CIBA-GEIGY AG (CH) | 1991-11-13 | — | — | EP | claimed |
| US-5034048-A | Plant growth regulators, 5(tetrahydrophthalamido)benzoic acid derivatives for controlling weeds | CIBA-GEIGY CORPORATION (US) | 1991-07-23 | — | — | US | disclosed |
| US-4917721-A | TETRAHYDROPHTHALIMIDO BENZOIC ACID THIOESTERS | CIBA-GEIGY CORPORATION (US) | 1990-04-17 | — | — | US | disclosed |