⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8996656 | 0.73 | — | — | |
| SCHEMBL35685 | 0.72 | — | — | |
| SCHEMBL4205854 | 0.72 | — | — | |
| SCHEMBL7915921 | 0.72 | — | — | |
| Water SCHEMBL8589710 | 0.69 | ALDH1A1 (0.42) | — | |
| Bromide SCHEMBL10573415 | 0.69 | — | — | |
| Ammonia Solution, Strong SCHEMBL6556391 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL3392067 | 0.69 | — | — | |
| Ammonia Solution, Strong SCHEMBL4903402 | 0.69 | — | — | |
| Benzene SCHEMBL175819 | 0.65 | SLC6A2 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2847177-A1 | METHODS FOR MAKING OXETAN-3-YLMETHANAMINES | Boehringer Ingelheim International GmbH (DE) | 2015-03-18 | — | — | EP | disclosed |
| WO-2013169531-A1 | METHODS FOR MAKING OXETAN-3-YLMETHANAMINES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-11-14 | — | — | WO | disclosed |