⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6501327 | 0.78 | — | — | |
| SCHEMBL827786 | 0.78 | — | — | |
| SCHEMBL10640140 | 0.75 | — | — | |
| SCHEMBL20807 | 0.74 | — | — | |
| SCHEMBL10766039 | 0.73 | — | — | |
| Propene SCHEMBL7590306 | 0.73 | — | — | |
| SCHEMBL3256661 | 0.70 | TSHR (0.39) | — | |
| SCHEMBL5266368 | 0.70 | TSHR (0.39) | — | |
| SCHEMBL19655 | 0.70 | — | — | |
| SCHEMBL1697365 | 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 |
|---|---|---|---|---|---|---|---|
| US-4316034-A | ISOCYANATE PRECURSOR | IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) | 1982-02-16 | — | — | US | claimed |