⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11041387 | 1.00 | — | — | |
| SCHEMBL20111149 | 0.72 | — | — | |
| SCHEMBL27298911 | 0.72 | — | — | |
| SCHEMBL9803648 | 0.72 | KDM4E (0.31) | — | |
| SCHEMBL20319632 | 0.71 | — | — | |
| SCHEMBL23506934 | 0.69 | CA4 (0.30) | — | |
| SCHEMBL16508398 | 0.69 | — | — | |
| SCHEMBL22756771 | 0.69 | — | — | |
| SCHEMBL3745262 | 0.69 | — | — | |
| SCHEMBL15031667 | 0.69 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0025907-B1 | HALOGENATED TERTIARY ALKYL ISOCYANATES AND PROCESS FOR THEIR PREPARATION | BASF Aktiengesellschaft (DE) | 1984-06-20 | — | — | EP | disclosed |