⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2487 | 0.71 | — | — | |
| SCHEMBL3156749 | 0.69 | — | — | |
| SCHEMBL6593388 | 0.65 | — | — | |
| SCHEMBL20559434 | 0.65 | — | — | |
| SCHEMBL8398233 | 0.64 | — | — | |
| SCHEMBL51690 | 0.64 | — | — | |
| SCHEMBL16808759 | 0.64 | — | — | |
| SCHEMBL51018 | 0.64 | — | — | |
| SCHEMBL5926275 | 0.63 | — | — | |
| SCHEMBL593115 | 0.61 | MEN1 (0.38) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150266814-A1 | METHODS, COMPOUNDS, AND COMPOSITIONS FOR DELIVERING 1,3-PROPANEDISULFONIC ACID | BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) | 2015-09-24 | — | — | US | disclosed |
| US-20070155813-A1 | Hsp90 family protein inhibitors | KYOWA HAKKO KOGYO CO., LTD. (JP) | 2007-07-05 | — | — | US | disclosed |
| EP-1704856-A1 | HSP90 FAMILY PROTEIN INHIBITOR | KYOWA HAKKO KOGYO CO., LTD. (JP) | 2006-09-27 | — | — | EP | disclosed |
| EP-0888271-B1 | BENZAMIDINE DERIVATIVES SUBSTITUTED BY AMINO ACID AND HYDROXY ACID DERIVATIVES AND THEIR USE AS ANTI-COAGULANTS | BERLEX LAB (US) | 2004-04-28 | — | — | EP | disclosed |
| US-6242454-B1 | Benzamidine derivatives substituted by amino acid and hydroxy acid derivatives and their use as anti-coagulants | BERLEX LABORATORIES INC. | 2001-06-05 | — | — | US | disclosed |
| US-6166088-A | CONTROLLING THROMBOSIS | BERLEX LABORATORIES, INC. (US) | 2000-12-26 | — | — | US | disclosed |
| US-6071912-A | INHIBIT HUMAN FACTOR XA AND ARE THEREFORE USEFUL AS PHARMACOLOGICAL AGENTS FOR THE TREATMENT OF DISEASE-STATES CHARACTERIZED BY THROMBOTIC ACTIVITY; AMINO-, OXY- AND THIA-SUBSTITUTED TRIAZINES | BERLEX LABORATORIES, INC. (US) | 2000-06-06 | — | — | US | disclosed |
| EP-0888271-A4 | BENZAMIDINE DERIVATIVES SUBSTITUTED BY AMINO ACID AND HYDROXY ACID DERIVATIVES AND THEIR USE AS ANTI-COAGULANTS | BERLEX LAB (US) | 2000-03-15 | — | — | EP | disclosed |
| US-5994375-A | ANTICOAGULANTS | BERLEX LABORATORIES, INC. (US) | 1999-11-30 | — | — | US | disclosed |
| EP-0888271-A1 | BENZAMIDINE DERIVATIVES SUBSTITUTED BY AMINO ACID AND HYDROXY ACID DERIVATIVES AND THEIR USE AS ANTI-COAGULANTS | BERLEX LABORATORIES, INC. (US) | 1999-01-07 | — | — | EP | disclosed |
| WO-1997029067-A1 | BENZAMIDINE DERIVATIVES SUBSTITUTED BY AMINO ACID AND HYDROXY ACID DERIVATIVES AND THEIR USE AS ANTI-COAGULANTS | BERLEX LABORATORIES, INC. (DE) | 1997-08-14 | — | — | WO | disclosed |