⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8596328 | 0.69 | — | — | |
| SCHEMBL12703368 | 0.66 | — | — | |
| SCHEMBL8374063 | 0.65 | — | — | |
| SCHEMBL7569561 | 0.65 | — | — | |
| SCHEMBL14830653 | 0.61 | — | — | |
| SCHEMBL14619476 | 0.60 | — | — | |
| SCHEMBL7513542 | 0.58 | — | — | |
| SCHEMBL15484139 | 0.51 | — | — | |
| SCHEMBL405874 | 0.51 | — | — | |
| SCHEMBL6272478 | 0.51 | — | — |
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-8450331-B2 | Thiophenyl-substituted 2-imino-3-methyl pyrrolo pyrimidinone compounds as BACE-1 inhibitors, compositions, and their use | MERCK SHARP & DOHME CORP. (US) | 2013-05-28 | — | — | US | disclosed |
| CN-102066380-A | Phenyl-substituted 2-imino-3-methyl pyrrolo pyrimidinone compounds as BACE-1 inhibitors, compositions, and their use | SCHERING CORP | 2011-05-18 | — | — | CN | disclosed |
| US-20110110927-A1 | THIOPHENYL-SUBSTITUTED 2-IMINO-3-METHYL PYRROLO PYRIMIDINONE COMPOUNDS AS BACE-1 INHIBITORS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME LLC | 2011-05-12 | — | — | US | disclosed |
| EP-2288613-A1 | PHENYL-SUBSTITUTED 2-IMINO-3-METHYL PYRROLO PYRIMIDINONE COMPOUNDS AS BACE-1 INHIBITORS, COMPOSITIONS, AND THEIR USE | Schering Corporation (US) | 2011-03-02 | — | — | EP | disclosed |
| EP-2283016-A1 | THIOPHENYL-SUBSTITUTED 2-IMINO-3-METHYL PYRROLO PYRIMIDINONE COMPOUNDS AS BACE-1 INHIBITORS, COMPOSITIONS, AND THEIR USE | Schering Corporation (US) | 2011-02-16 | — | — | EP | disclosed |
| WO-2009131974-A8 | THIOPHENYL-SUBSTITUTED 2-IMINO-3-METHYL PYRROLO PYRIMIDINONE COMPOUNDS AS BACE-1 INHIBITORS, COMPOSITIONS, AND THEIR USE | SCHERING CORPORATION (US) | 2010-03-18 | — | — | WO | disclosed |
| WO-2009131974-A1 | THIOPHENYL-SUBSTITUTED 2-IMINO-3-METHYL PYRROLO PYRIMIDINONE COMPOUNDS AS BACE-1 INHIBITORS, COMPOSITIONS, AND THEIR USE | SCHERING CORPORATION (US) | 2009-10-29 | — | — | WO | disclosed |
| WO-2009131975-A1 | PHENYL-SUBSTITUTED 2-IMINO-3-METHYL PYRROLO PYRIMIDINONE COMPOUNDS AS BACE-1 INHIBITORS, COMPOSITIONS, AND THEIR USE | SCHERING CORPORATION (US) | 2009-10-29 | — | — | WO | disclosed |