⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL823853 | 0.79 | — | — | |
| SCHEMBL229980 | 0.74 | — | — | |
| Ammonia Solution, Strong SCHEMBL6471729 | 0.70 | — | — | |
| SCHEMBL169919 | 0.68 | — | — | |
| SCHEMBL16382053 | 0.67 | — | — | |
| SCHEMBL2102789 | 0.67 | — | — | |
| SCHEMBL1920506 | 0.67 | — | — | |
| SCHEMBL11322430 | 0.62 | — | — | |
| SCHEMBL21889222 | 0.61 | — | — | |
| SCHEMBL20510882 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4933510-A | Propanol derivatives | SYMBICOM AKTIEBOLAG (SE) | 1990-06-12 | — | — | US | disclosed |
| CN-86100170-A | The preparation method of propanol derivative | — | 1986-12-17 | — | — | CN | disclosed |