⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL331834 | 0.75 | — | — | |
| SCHEMBL1687808 | 0.73 | — | — | |
| Water SCHEMBL30726534 | 0.73 | — | — | |
| SCHEMBL29119800 | 0.73 | — | — | |
| SCHEMBL16761002 | 0.73 | — | — | |
| SCHEMBL14038119 | 0.72 | — | — | |
| Ether SCHEMBL4579808 | 0.71 | — | — | |
| SCHEMBL17696695 | 0.71 | — | — | |
| Water SCHEMBL29119808 | 0.71 | ALDH1A1 (0.30) | — | |
| SCHEMBL31435879 | 0.71 | — | — |
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-20170327520-A1 | CONJUGATED BISPHOSPHONATES FOR THE DIAGNOSIS AND THERAPY OF BONE DISEASES | SCV GMBH (DE) | 2017-11-16 | — | — | US | disclosed |
| WO-2016058704-A1 | CONJUGATED BISPHOSPHONATES FOR THE DIAGNOSIS AND THERAPY OF BONE DISEASES | SCV GMBH (DE) | 2016-04-21 | — | — | WO | disclosed |
| US-20120178720-A1 | Bisphosphonates as Inhibitors of Acid Sphingomyelinase | RHEINISCH-WESTFALISCHE TECHNISCHE HOCHSCHULE AACHEN (DE) | 2012-07-12 | — | — | US | disclosed |