⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL318005 | 0.80 | LMNA (0.32) | — | |
| SCHEMBL11532907 | 0.71 | MEN1 (0.38) | — | |
| Iodide SCHEMBL16209992 | 0.70 | CA2 (0.36) | — | |
| SCHEMBL817856 | 0.69 | NFKB1 (0.38) | — | |
| SCHEMBL83217 | 0.69 | — | — | |
| SCHEMBL547205 | 0.69 | NFKB1 (0.38) | — | |
| SCHEMBL15126594 | 0.69 | HRH3 (0.35) | — | |
| SCHEMBL817373 | 0.67 | — | — | |
| SCHEMBL22927051 | 0.67 | — | — | |
| SCHEMBL28007407 | 0.67 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1070507-C | Aminopropyl bis (aminoethyl) ether compositions for preparing polyurethanes | AIR PROD & CHEM (US) | 2001-09-05 | — | — | CN | disclosed |
| US-6051527-A | CATALYST | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2000-04-18 | — | — | US | disclosed |
| US-6051527-A | CATALYST | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2000-04-18 | — | — | US | disclosed |
| EP-0765892-B1 | Aminopropylbis(aminoethyl)ether compositions for the production of polyurethanes | AIR PROD & CHEM (US) | 2000-04-12 | — | — | EP | disclosed |
| US-5874483-A | Aminopropylbis (aminoethyl) ether compositions for the production of polyurethanes | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1999-02-23 | — | — | US | disclosed |
| CN-1153184-A | Aminopropyl bis (aminoethyl) ether compositions for preparing polyurethanes | AIR PROD & CHEM (US) | 1997-07-02 | — | — | CN | disclosed |
| EP-0765892-A1 | Aminopropylbis(aminoethyl)ether compositions for the production of polyurethanes | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1997-04-02 | — | — | EP | disclosed |