⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17581051 | 0.76 | — | — | |
| SCHEMBL2380963 | 0.76 | — | — | |
| SCHEMBL5684100 | 0.71 | GAA (0.32) | — | |
| SCHEMBL11135149 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL11374015 | 0.66 | — | — | |
| SCHEMBL3208607 | 0.65 | — | — | |
| SCHEMBL26804573 | 0.65 | — | — | |
| SCHEMBL3208597 | 0.65 | — | — | |
| SCHEMBL351712 | 0.62 | — | — | |
| SCHEMBL2532720 | 0.62 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0051803-B1 | PROCESS FOR THE PREPARATION OF 3,5-DIMETHYL ANILINE (SYM. M-XYLIDINE) | HOECHST AKTIENGESELLSCHAFT (DE) | 1984-04-04 | — | — | EP | claimed |
| CN-111433211-B | Synthesis of halichondrin | 哈佛大学的校长及成员们 | 2024-05-07 | — | — | CN | disclosed |
| CN-111433211-A | Synthesis of halichondrin | 哈佛大学的校长及成员们 | 2020-07-17 | — | — | CN | disclosed |
| EP-0253374-A1 | A method for combatting blackgrass in cereal crops and compositions therefor | AGAN CHEMICAL MANUFACTURERS LTD. (IL) | 1988-01-20 | — | — | EP | disclosed |
| US-4640705-A | MIXTURE OF TERBUTRYNE AND TRIFLURALIN | AGAN CHEMICAL MANUFACTURERS LTD. (IL) | 1987-02-03 | — | — | US | disclosed |
| EP-0100156-A2 | A method for combatting blackgrass in cereal crops and compositions therefor | AGAN CHEMICAL MANUFACTURERS LTD. (IL) | 1984-02-08 | — | — | EP | disclosed |
| US-4128579-A | Process for the manufacture of α,β-unsaturated cycloaliphatic ketoximes | HOECHST AKTIENGESELLSCHAFT (DE) | 1978-12-05 | — | — | US | disclosed |