⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL818769 | 1.00 | — | — | |
| SCHEMBL21538113 | 0.74 | — | — | |
| SCHEMBL268482 | 0.70 | — | — | |
| SCHEMBL11705054 | 0.70 | — | — | |
| SCHEMBL10708789 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL6264325 | 0.69 | — | — | |
| SCHEMBL2387210 | 0.69 | — | — | |
| SCHEMBL8083362 | 0.67 | — | — | |
| SCHEMBL21538016 | 0.65 | — | — | |
| SCHEMBL30940377 | 0.63 | CPB2 (0.30) | — |
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-9115052-B2 | Separation of an enantiomer mixture of (R)- and (S)-3-amino-1-butanol | BASF SE (DE) | 2015-08-25 | — | — | US | disclosed |
| US-20110275855-A1 | SEPARATION OF AN ENANTIOMER MIXTURE OF (R)- AND (S)-3-AMINO-1-BUTANOL | BASF SE (DE) | 2011-11-10 | — | — | US | disclosed |