⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1577035 | 0.81 | — | — | |
| SCHEMBL740005 | 0.71 | — | — | |
| SCHEMBL1850341 | 0.71 | — | — | |
| SCHEMBL965523 | 0.71 | — | — | |
| SCHEMBL150143 | 0.71 | — | — | |
| SCHEMBL1290871 | 0.69 | ALDH1A1 (0.75) | — | |
| SCHEMBL212626 | 0.69 | — | — | |
| SCHEMBL21216 | 0.69 | ALDH1A1 (0.91) | — | |
| SCHEMBL30196170 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL8688382 | 0.69 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0756484-A1 | WET GRANULATION FORMULATION FOR BISPHOSPHONIC ACIDS | MERCK & CO. INC. (US) | 1997-02-05 | — | — | EP | claimed |
| EP-0690719-A4 | — | — | 1996-01-24 | — | — | EP | claimed |
| EP-0690719-A1 | DRY MIX FORMULATION FOR BISPHOSPHONIC ACIDS | MERCK & CO. INC. (US) | 1996-01-10 | — | — | EP | claimed |
| WO-1995029679-A1 | WET GRANULATION FORMULATION FOR BISPHOSPHONIC ACIDS | MERCK & CO., INC. (US) | 1995-11-09 | — | — | WO | claimed |
| WO-1994012200-A1 | DRY MIX FORMULATION FOR BISPHOSPHONIC ACIDS | MERCK & CO., INC. (US) | 1994-06-09 | — | — | WO | claimed |
| EP-1284754-A1 | GEL-LIKE PHARMACEUTICAL COMPOSITION FOR SUBCUTANEOUS ADMINISTRATION COMPRISING BISPHOSPHONIC ACIDS OR THEIR SALTS | F. HOFFMANN-LA ROCHE AG (CH) | 2003-02-26 | — | — | EP | disclosed |
| WO-2001085217-A1 | GEL-LIKE PHARMACEUTICAL COMPOSITION FOR SUBCUTANEOUS ADMINISTRATION COMPRISING BISPHOSPHONIC ACIDS OR THEIR SALTS | F. HOFFMANN-LA ROCHE AG (CH) | 2001-11-15 | — | — | WO | disclosed |
| EP-0949928-A4 | ANDROGENIC AND BISPHOSPHONIC AGENTS COADMINISTERED TO TREAT DISEASES | MERCK & CO INC (US) | 2000-09-13 | — | — | EP | disclosed |
| EP-0949928-A1 | ANDROGENIC AND BISPHOSPHONIC AGENTS COADMINISTERED TO TREAT DISEASES | Merck & Co., Inc. (US) | 1999-10-20 | — | — | EP | disclosed |
| WO-1998023274-A1 | ANDROGENIC AND BISPHOSPHONIC AGENTS COADMINISTERED TO TREAT DISEASES | MERCK & CO., INC. (US) | 1998-06-04 | — | — | WO | disclosed |
| EP-0690719-A4 | — | — | 1996-01-24 | — | — | EP | disclosed |
| EP-0690719-A1 | DRY MIX FORMULATION FOR BISPHOSPHONIC ACIDS | MERCK & CO. INC. (US) | 1996-01-10 | — | — | EP | disclosed |
| WO-1994012200-A1 | DRY MIX FORMULATION FOR BISPHOSPHONIC ACIDS | MERCK & CO., INC. (US) | 1994-06-09 | — | — | WO | disclosed |