⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8076384 | 1.00 | — | — | |
| SCHEMBL11768917 | 1.00 | — | — | |
| SCHEMBL748440 | 0.97 | — | — | |
| Diethylamine SCHEMBL8078238 | 0.78 | TP53 (0.35) | — | |
| SCHEMBL17061029 | 0.78 | — | — | |
| Pyridine SCHEMBL8078245 | 0.77 | TSHR (0.38) | — | |
| SCHEMBL28244105 | 0.73 | — | — | |
| SCHEMBL17696695 | 0.73 | — | — | |
| SCHEMBL28574527 | 0.71 | — | — | |
| SCHEMBL6576161 | 0.69 | THRB (0.32) | — |
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-1032578-A1 | NOVEL METHYLENEBISPHOSPHONIC ACID DERIVATIVES | LEIRAS OY (FI) | 2000-09-06 | — | — | EP | disclosed |
| WO-1999020634-A1 | NOVEL METHYLENEBISPHOSPHONIC ACID DERIVATIVES | LEIRAS OY (FI) | 1999-04-29 | — | — | WO | disclosed |