⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7266574 | 0.70 | ALDH1A1 (0.48) | — | |
| SCHEMBL15128553 | 0.68 | HDAC2 (0.59) | — | |
| SCHEMBL3178102 | 0.67 | — | — | |
| SCHEMBL27990818 | 0.67 | — | — | |
| SCHEMBL3070336 | 0.67 | ALDH1A1 (0.42) | — | |
| Biguanide SCHEMBL17701180 | 0.66 | LDHA (0.35) | — | |
| SCHEMBL146394 | 0.66 | — | — | |
| Biguanide SCHEMBL4198353 | 0.66 | ACHE (0.40) | — | |
| SCHEMBL3080488 | 0.66 | LMNA (0.33) | — | |
| SCHEMBL9809865 | 0.66 | LMNA (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-102952112-A | Tricyclic guanidine derivatives as sodium-proton exchange inhibitors | NICHOLAS PIRAMAL INDIA LTD | 2013-03-06 | — | — | CN | disclosed |
| US-8183234-B2 | Tricyclic guanidine derivatives as sodium-proton exchange inhibitors | PIRAMAL LIFE SCIENCES LIMITED (IN) | 2012-05-22 | — | — | US | disclosed |
| US-7834001-B2 | N-(10,10-Dioxo-10,11-dihydro-5-oxa-10-lambda*6*-thia-dibenzo[a.d]cycloheptene-8-carbonyl)-guanidine; tumor necrosis factor inhibitors; sodium-proton exchange inhibitors for treatment of organ disorders associated with ischemia and reperfusion, cardiac arrhythmia, cardiac hypertrophy | PIRAMAL LIFE SCIENCES LIMITED (IN) | 2010-11-16 | — | — | US | disclosed |
| US-20100267690-A1 | TRICYCLIC GUANIDINE DERIVATIVES AS SODIUM-PROTON EXCHANGE INHIBITORS | PIRAMAL LIFE SCIENCES LIMITED (IN) | 2010-10-21 | — | — | US | disclosed |
| US-20070299051-A1 | Tricyclic Guanidine Derivatives as Sodium-Proton Exchange Inhibitors | NICHOLAS PIRAMAL INDIA LIMITED. (IN) | 2007-12-27 | — | — | US | disclosed |
| CN-101076526-A | Tricyclic guanidine derivatives as sodium-proton exchange inhibitors | NICHOLAS PIRAMAL INDIA LTD (IN) | 2007-11-21 | — | — | CN | disclosed |
| EP-1812420-A1 | TRICYCLIC GUANIDINE DERIVATIVES AS SODIUM-PROTON EXCHANGE INHIBITORS | Nicholas Piramal India Limited (IN) | 2007-08-01 | — | — | EP | disclosed |
| WO-2006051476-A1 | TRICYCLIC GUANIDINE DERIVATIVES AS SODIUM-PROTON EXCHANGE INHIBITORS | NICHOLAS PIRAMAL INDIA LIMITED (IN) | 2006-05-18 | — | — | WO | disclosed |