⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9460139 | 1.00 | — | — | |
| SCHEMBL515343 | 1.00 | — | — | |
| SCHEMBL28391810 | 0.81 | — | — | |
| SCHEMBL13066227 | 0.81 | — | — | |
| SCHEMBL3167804 | 0.81 | — | — | |
| SCHEMBL6953978 | 0.80 | MMP1 (0.40) | — | |
| Hydrochloric Acid SCHEMBL29074311 | 0.79 | TXN (0.44) | — | |
| SCHEMBL1696874 | 0.79 | — | — | |
| SCHEMBL5990737 | 0.79 | — | — | |
| SCHEMBL10556487 | 0.79 | — | — |
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-0473626-B1 | NEW DIPHOSPHONIC ACID DERIVATIVES, PROCESS FOR PRODUCING THEM AND DRUGS CONTAINING THEM | BOEHRINGER MANNHEIM GMBH (DE) | 1993-12-01 | — | — | EP | disclosed |
| US-5206253-A | DISPHOSPHONIC ACID DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL PREPARATIONS CONTAINING THESE COMPOUNDS | BOEHRINGER MANNHEIM, GMBH (DE) | 1993-04-27 | — | — | US | disclosed |
| EP-0473626-A1 | NEW DIPHOSPHONIC ACID DERIVATIVES, PROCESS FOR PRODUCING THEM AND DRUGS CONTAINING THEM. | BOEHRINGER MANNHEIM GMBH (DE) | 1992-03-11 | — | — | EP | disclosed |
| WO-1990014348-A1 | NEW DIPHOSPHONIC ACID DERIVATIVES, PROCESS FOR PRODUCING THEM AND DRUGS CONTAINING THEM | BOEHRINGER MANNHEIM GMBH (DE) | 1990-11-29 | — | — | WO | disclosed |