⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19278645 | 0.77 | — | — | |
| SCHEMBL10000097 | 0.74 | — | — | |
| SCHEMBL6758642 | 0.74 | ADH1B (0.43) | — | |
| SCHEMBL17177641 | 0.73 | — | — | |
| SCHEMBL7054800 | 0.71 | — | — | |
| SCHEMBL3936013 | 0.71 | — | — | |
| SCHEMBL24660876 | 0.71 | CA2 (0.33) | — | |
| SCHEMBL8214229 | 0.71 | CA2 (0.33) | — | |
| SCHEMBL10848367 | 0.70 | — | — | |
| SCHEMBL1870217 | 0.70 | — | — |
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-0222561-B1 | PROCESS FOR ENZYMATIC SEPARATION OF OPTICAL ISOMERS OF 2-AMINOBUTANOL | Montedison S.p.A. (IT) | 1991-05-08 | — | — | EP | claimed |