⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14964219 | 1.00 | — | — | |
| SCHEMBL133123 | 1.00 | — | — | |
| Butane SCHEMBL9870581 | 0.97 | METAP1 (0.39) | — | |
| Hydrochloric Acid SCHEMBL9221283 | 0.97 | — | — | |
| Bromide SCHEMBL20499886 | 0.97 | — | — | |
| SCHEMBL8570780 | 0.97 | — | — | |
| Water SCHEMBL7046666 | 0.97 | — | — | |
| Ammonia Solution, Strong SCHEMBL28193932 | 0.97 | — | — | |
| SCHEMBL9840811 | 0.94 | LMNA (0.40) | — | |
| Trimethylammonium SCHEMBL27932181 | 0.91 | METAP1 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-107793320-B | Method for preparing single-configuration 3-amino-1-butanol by chiral resolution | 上海迪赛诺药业股份有限公司 | 2022-06-28 | — | — | CN | disclosed |