⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10534451 | 0.86 | — | — | |
| SCHEMBL5595418 | 0.84 | GABRA5 (0.31) | — | |
| SCHEMBL2185176 | 0.84 | GABRA5 (0.31) | — | |
| SCHEMBL21952939 | 0.70 | GABRA5 (0.31) | — | |
| SCHEMBL10888156 | 0.69 | — | — | |
| SCHEMBL7364403 | 0.68 | CA2 (0.31) | — | |
| SCHEMBL7757027 | 0.64 | — | — | |
| SCHEMBL7024173 | 0.62 | — | — | |
| SCHEMBL8486435 | 0.60 | — | — | |
| SCHEMBL7026281 | 0.59 | GNAI3 (0.33) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0629608-B1 | Process for preparing N-acyl-N,N'N'-ethylenediaminetriacetic acid derivatives | HAMPSHIRE CHEMICAL CORP (US) | 1998-10-28 | — | — | EP | disclosed |
| EP-0861827-A2 | N-acyl-n,n'n'-ethylenediaminetriacetic acid derivatives and process for preparing the same | HAMPSHIRE CHEMICAL CORPORATION (US) | 1998-09-02 | — | — | EP | disclosed |
| EP-0629608-A2 | N-acyl-N,N'N'-ethylenediaminetriacetic acid derivatives and process for preparing same | HAMPSHIRE CHEMICAL CORPORATION (US) | 1994-12-21 | — | — | EP | disclosed |
| US-5284972-A | N-acyl-N,N',N'-ethylenediaminetriacetic acid derivatives and process of preparing same | HAMPSHIRE CHEMICAL CORP. (US) | 1994-02-08 | — | — | US | disclosed |