⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3838543 | 0.83 | — | — | |
| SCHEMBL2652895 | 0.76 | TSHR (0.31) | — | |
| SCHEMBL22345324 | 0.76 | MEN1 (0.30) | — | |
| SCHEMBL924323 | 0.75 | — | — | |
| SCHEMBL28778425 | 0.71 | — | — | |
| SCHEMBL7063305 | 0.71 | — | — | |
| SCHEMBL5670696 | 0.70 | HTT (0.30) | — | |
| SCHEMBL737313 | 0.69 | NOS1 (0.33) | — | |
| SCHEMBL11503054 | 0.69 | — | — | |
| SCHEMBL13555372 | 0.69 | ACHE (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2352723-A2 | HALOGEN-SUBSTITUTED COMPOUNDS USED AS PESTICIDES | Bayer CropScience AG (DE) | 2011-08-10 | — | — | EP | disclosed |
| WO-2010051926-A2 | NEW HALOGEN-SUBSTITUTED BONDS | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2010-05-14 | — | — | WO | disclosed |