⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL93579 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL27534769 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL8544926 | 0.93 | — | — | |
| Ethylene SCHEMBL8854307 | 0.90 | — | — | |
| SCHEMBL288510 | 0.76 | SLC22A6 (0.50) | — | |
| SCHEMBL2491274 | 0.76 | SLC22A6 (0.50) | — | |
| Aspartic Acid SCHEMBL28060155 | 0.75 | GRIK1 (0.54) | — | |
| Aspartic Acid SCHEMBL31453284 | 0.75 | GRIK1 (0.54) | — | |
| Aspartic Acid SCHEMBL27624117 | 0.75 | GRIK1 (0.54) | — | |
| SCHEMBL338756 | 0.73 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0693081-A1 | CYCLIC COMPOUNDS AND COMPOSITIONS WHICH INHIBIT BONE RESORPTION | Novartis AG (CH) | 1996-01-24 | — | — | EP | disclosed |
| WO-1994024153-A1 | CYCLIC COMPOUNDS AND COMPOSITIONS WHICH INHIBIT BONE RESORPTION | CIBA-GEIGY AG (CH) | 1994-10-27 | — | — | WO | disclosed |