Known targets — ChEMBL curated mechanism
ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D
The experimentally established mechanism targets of Ethylenediamine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1691477 | 0.92 | — | — | |
| SCHEMBL11769 | 0.92 | — | — | |
| SCHEMBL1351840 | 0.92 | — | — | |
| Iodide SCHEMBL9357475 | 0.88 | — | — | |
| Bromide SCHEMBL22227755 | 0.88 | — | — | |
| SCHEMBL9159914 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL28299466 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL22227751 | 0.88 | — | — | |
| Putrescine SCHEMBL5145566 | 0.86 | NFKB1 (0.47) | — | |
| Propane SCHEMBL8008493 | 0.81 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10189946-B2 | Process for preparing polyamines | BASF SE (DE) | 2019-01-29 | — | — | US | claimed |
| US-7807616-B2 | Geranonitrile substitute | HENKEL AG & CO. KGAA (DE) | 2010-10-05 | — | — | US | disclosed |
| US-20070265183-A1 | fragrance mixture for laundering, care and/or cleaning component; producing a citrus odor; 3,7-dimethyloct-6-enenitrile mixtures; stability; nontoxic | HENKEL AG & CO. KGAA (DE) | 2007-11-15 | — | — | US | disclosed |
| US-20040224873-A1 | Agent and device and method for producing the same | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) | 2004-11-11 | — | — | US | disclosed |
| US-5043241-A | Disperssion of copolymer resin grains; storage stability | FUJI PHOTO FILM CO., LTD. (JP) | 1991-08-27 | — | — | US | disclosed |