⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18938682 | 0.67 | — | — | |
| SCHEMBL884123 | 0.63 | MEN1 (0.32) | — | |
| SCHEMBL3590263 | 0.62 | — | — | |
| SCHEMBL18205262 | 0.62 | — | — | |
| SCHEMBL11914217 | 0.51 | — | — | |
| SCHEMBL12553331 | 0.51 | — | — | |
| SCHEMBL311686 | 0.50 | — | — | |
| SCHEMBL651684 | 0.50 | — | — | |
| SCHEMBL1569445 | 0.50 | — | — | |
| SCHEMBL1928152 | 0.49 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0301352-B1 | OLEFINIC DIPHOSPHONIC ACIDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS THRESHOLD AGENTS, AS WELL AS COMPLEXANT COMPOSITIONS CONTAINING OLEFINIC DIPHOSPHONIC ACIDS | Henkel Kommanditgesellschaft auf Aktien (DE) | 1991-06-12 | — | — | EP | disclosed |
| US-4962229-A | Olefinic diphosphonic acids, a process for their production, their use as thresholders, and complexing compositions containing them | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 1990-10-09 | — | — | US | disclosed |
| US-4908138-A | Complexing compound for preventing precipitation of alkaline earth salts from aqueous solutions | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 1990-03-13 | — | — | US | disclosed |
| US-4880575-A | Olefinic diphosphonic acids, a process for their production, their use as thresholders and complexing compositions containing them | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 1989-11-14 | — | — | US | disclosed |
| EP-0301352-A2 | Olefinic diphosphonic acids, process for their preparation and their use as threshold agents, as well as complexant compositions containing olefinic diphosphonic acids | Henkel Kommanditgesellschaft auf Aktien (DE) | 1989-02-01 | — | — | EP | disclosed |
| EP-0301351-A2 | Hydroxyacetonitrile diphosphonic acid, process for its preparation and its use | Henkel Kommanditgesellschaft auf Aktien (DE) | 1989-02-01 | — | — | EP | disclosed |