⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14784706 | 0.75 | — | — | |
| SCHEMBL28914803 | 0.69 | — | — | |
| SCHEMBL28238486 | 0.67 | — | — | |
| SCHEMBL28237412 | 0.67 | — | — | |
| SCHEMBL5389285 | 0.65 | — | — | |
| SCHEMBL8728391 | 0.64 | — | — | |
| SCHEMBL8728389 | 0.64 | — | — | |
| Dichlorodifluoromethane SCHEMBL10828892 | 0.59 | TSHR (0.43) | — | |
| SCHEMBL8132063 | 0.59 | — | — | |
| SCHEMBL27896 | 0.59 | — | — |
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-1678141-B1 | 1,3-DIMETHYLBUTYL CARBOXANILIDES FOR CONTROLLING UNDESIRABLE MICRO-ORGANISMS | BAYER CROPSCIENCE AG (DE) | 2014-02-12 | — | — | EP | disclosed |
| EP-0350315-B1 | RHIZOXIN DERIVATES AND THEIR USE AS ANTI-TUMOR AGENTS | SANKYO COMPANY LIMITED (JP) | 1993-06-16 | — | — | EP | disclosed |
| EP-0350315-A1 | Rhizoxin derivates and their use as anti-tumor agents | SANKYO COMPANY LIMITED (JP) | 1990-01-10 | — | — | EP | disclosed |