⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8633985 | 0.94 | — | — | |
| SCHEMBL5397020 | 0.94 | — | — | |
| SCHEMBL14191848 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL22575292 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL22771664 | 0.91 | — | — | |
| SCHEMBL15901915 | 0.84 | KCNH2 (0.37) | — | |
| SCHEMBL283619 | 0.83 | TSHR (0.33) | — | |
| SCHEMBL431523 | 0.83 | TSHR (0.33) | — | |
| SCHEMBL6660072 | 0.80 | KCNH2 (0.50) | — | |
| SCHEMBL21011065 | 0.78 | — | — |
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-7161039-B2 | Method and device for producing ethylamine and butylamine | BASF AKTIENGESELLSCHAFT (DE) | 2007-01-09 | — | — | US | disclosed |
| US-20050124832-A1 | Method and device for producing ethylamine and butylamine | BASF AKTIENGESELLSCHAFT (DE) | 2005-06-09 | — | — | US | disclosed |