⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1660268 | 0.73 | — | — | |
| SCHEMBL30808136 | 0.72 | TDP1 (0.31) | — | |
| SCHEMBL445565 | 0.72 | TDP1 (0.31) | — | |
| SCHEMBL445566 | 0.72 | TDP1 (0.31) | — | |
| SCHEMBL12586648 | 0.71 | — | — | |
| SCHEMBL21265929 | 0.71 | — | — | |
| SCHEMBL28724673 | 0.71 | — | — | |
| SCHEMBL6130623 | 0.69 | GRIK1 (0.38) | — | |
| SCHEMBL31228875 | 0.69 | GRIK1 (0.34) | — | |
| SCHEMBL6130626 | 0.69 | GRIK1 (0.38) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10815191-B2 | Formulation comprising ester quats based on isopropanolamine and tetrahydroxypropyl ethylenediamine | EVONIK OPERATIONS GMBH (DE) | 2020-10-27 | — | — | US | disclosed |
| US-20160083333-A1 | FORMULATION COMPRISING ESTER QUATS BASED ON ISOPROPANOLAMINE AND TETRAHYDROXYPROPYL ETHYLENEDIAMINE | EVONIK OPERATIONS GMBH (DE) | 2016-03-24 | — | — | US | disclosed |
| EP-2997959-A1 | FORMULATION CONTAINING ESTER QUATS BASED ON ISOPROPANOLAMIN AND TETRAHYDROXYPROPYL ETHYLENEDIAMINE | Evonik Degussa GmbH (DE) | 2016-03-23 | — | — | EP | disclosed |