⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL35670 | 0.95 | — | — | |
| SCHEMBL18373791 | 0.72 | — | — | |
| SCHEMBL16561770 | 0.72 | — | — | |
| SCHEMBL11126570 | 0.70 | — | — | |
| SCHEMBL14142378 | 0.68 | TSHR (0.33) | — | |
| SCHEMBL11800429 | 0.67 | — | — | |
| SCHEMBL9179112 | 0.64 | ALDH1A1 (0.31) | — | |
| SCHEMBL8074143 | 0.64 | — | — | |
| SCHEMBL28312252 | 0.64 | — | — | |
| SCHEMBL4040168 | 0.64 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7514585-B2 | Producing an aliphatic amine by reacting an aliphatic alcohol with ammonia and hydrogen in the presence of a catalyst with nickel, copper and zirconium components and one or more of group 3, group 5, and/or platinum group elements; stearylamine from stearyl alcohol | KAO CORPORATION (JP) | 2009-04-07 | — | — | US | disclosed |
| US-7507863-B2 | Process for producing nitrogen-containing compounds | KAO CORPORATION (JP) | 2009-03-24 | — | — | US | disclosed |
| US-20070149817-A1 | PROCESS FOR PRODUCING NITROGEN-CONTAINING COMPOUNDS | KAO CORPORATION (JP) | 2007-06-28 | — | — | US | disclosed |
| US-20070149818-A1 | PROCESS FOR PRODUCING NITROGEN-CONTAINING COMPOUNDS | KAO CORPORATION (JP) | 2007-06-28 | — | — | US | disclosed |
| US-6057442-A | Preparation of amines | BASF AKTIENGESELLSCHAFT (DE) | 2000-05-02 | — | — | US | disclosed |
| US-5608113-A | Process for preparation of diamines by catalytic amination of aminoalcohols | BASF AKTIENGESELLSCHAFT (DE) | 1997-03-04 | — | — | US | disclosed |