⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1660194 | 0.74 | — | — | |
| SCHEMBL11403678 | 0.69 | CRBN (0.36) | — | |
| SCHEMBL8781878 | 0.63 | — | — | |
| Cyanamide SCHEMBL11725056 | 0.61 | — | — | |
| SCHEMBL11326672 | 0.61 | — | — | |
| SCHEMBL26103873 | 0.61 | — | — | |
| SCHEMBL9733633 | 0.61 | — | — | |
| SCHEMBL28278875 | 0.61 | — | — | |
| SCHEMBL12128147 | 0.59 | — | — | |
| SCHEMBL578217 | 0.57 | — | — |
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-2451774-A1 | METHOD FOR PRODUCING ISOCYANATES IN THE GAS PHASE | Bayer MaterialScience AG (DE) | 2012-05-16 | — | — | EP | disclosed |
| WO-2011003531-A1 | METHOD FOR PRODUCING ISOCYANATES IN THE GAS PHASE | BAYER MATERIALSCIENCE AG (DE) | 2011-01-13 | — | — | WO | disclosed |