⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1438923 | 0.71 | — | — | |
| SCHEMBL19113851 | 0.70 | — | — | |
| SCHEMBL408523 | 0.67 | ACHE (0.34) | — | |
| SCHEMBL21266872 | 0.67 | — | — | |
| SCHEMBL24220907 | 0.67 | — | — | |
| SCHEMBL4546673 | 0.66 | — | — | |
| SCHEMBL10121187 | 0.66 | DEGS1 (0.36) | — | |
| SCHEMBL74849 | 0.66 | DEGS1 (0.36) | — | |
| SCHEMBL2811915 | 0.65 | ACHE (0.38) | — | |
| SCHEMBL8909612 | 0.65 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7563792-B2 | Biguanide and dihydrotriazine derivatives | JACOBUS PHARMACEUTICAL COMPANY, INC. (US) | 2009-07-21 | — | — | US | disclosed |
| US-20080176852-A1 | BIGUANIDE AND DIHYDROTRIAZINE DERIVATIVES | JACOBUS PHARMACEUTICAL COMPANY, INC. | 2008-07-24 | — | — | US | disclosed |
| US-7256218-B2 | Biguanide and dihydrotriazine derivatives | JACOBUS PHARMACEUTICAL COMPANY, INC. (US) | 2007-08-14 | — | — | US | disclosed |
| EP-1565430-A1 | BIGUANIDE AND DIHYDROTRIAZINE DERIVATIVES | JACOBUS PHARMACEUTICAL CO. INC. (US) | 2005-08-24 | — | — | EP | disclosed |
| US-20040116428-A1 | Biguanide and dihydrotriazine derivatives | JACOBUS PHARMACEUTICAL COMPANY, INC. | 2004-06-17 | — | — | US | disclosed |
| WO-2004048320-A1 | BIGUANIDE AND DIHYDROTRIAZINE DERIVATIVES | JACOBUS PHARMACEUTICAL COMPANY, INC. (US) | 2004-06-10 | — | — | WO | disclosed |
| EP-0900197-A1 | BETA-THIOPROPIONYL-AMINOACID DERIVATIVES AND THEIR USE AS BETA-LACTAMASE INHIBITORS | SMITHKLINE BEECHAM PLC (GB) | 1999-03-10 | — | — | EP | disclosed |
| WO-1997030027-A1 | BETA-THIOPROPIONYL-AMINOACID DERIVATIVES AND THEIR USE AS BETA-LACTAMASE INHIBITORS | SMITHKLINE BEECHAM PLC (GB) | 1997-08-21 | — | — | WO | disclosed |