⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2360043 | 0.71 | KDM4E (0.32) | — | |
| SCHEMBL5052066 | 0.65 | LMNA (0.33) | — | |
| SCHEMBL1853376 | 0.64 | HTT (0.31) | — | |
| SCHEMBL21042634 | 0.60 | HSP90AA1 (0.33) | — | |
| SCHEMBL1257941 | 0.60 | HSP90AA1 (0.33) | — | |
| SCHEMBL11581475 | 0.59 | ALDH1A1 (0.38) | — | |
| SCHEMBL1855200 | 0.57 | — | — | |
| SCHEMBL669639 | 0.57 | — | — | |
| SCHEMBL669640 | 0.57 | PDPK1 (0.53) | — | |
| SCHEMBL8520774 | 0.56 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1296986-B1 | 5-AMINOALKYL-PYRAZOLO[ 4,3-D]PYRIMIDINES WITH A PHOSPHODIESTERASE V-INHIBITING EFFECT | MERCK PATENT GMBH (DE) | 2011-08-10 | — | — | EP | disclosed |
| US-7676358-B2 | System and method for the recognition of organic chemical names in text documents | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 2010-03-09 | — | — | US | disclosed |
| US-7060823-B2 | 5-aminoalkyl-pyrazolo[4,3-d]pyrimidines with a phosphodiesterase v-inhibiting effect | MERCK PATENT GMBH (DE) | 2006-06-13 | — | — | US | disclosed |
| US-7060823-B2 | 5-aminoalkyl-pyrazolo[4,3-d]pyrimidines with a phosphodiesterase v-inhibiting effect | MERCK PATENT GMBH (DE) | 2006-06-13 | — | — | US | disclosed |
| US-20050203898-A1 | System and method for the indexing of organic chemical structures mined from text documents | INTERNATIONAL BUSINESS MACHINES CORPORATION | 2005-09-15 | — | — | US | disclosed |
| CN-1601520-A | System and method for the recognition of organic chemical names in text documents | IBM (US) | 2005-03-30 | — | — | CN | disclosed |
| US-20050065776-A1 | System and method for the recognition of organic chemical names in text documents | INTERNATIONAL BUSINESS MACHINES CORPORATION | 2005-03-24 | — | — | US | disclosed |
| US-20040029900-A1 | 5-Aminoalkyl-pyrazolo[4,3-d]pyrimidines with a phosphodiesterase v-inhibiting effect | MERCK PATENT GMBH (DE) | 2004-02-12 | — | — | US | disclosed |
| US-20040029900-A1 | 5-Aminoalkyl-pyrazolo[4,3-d]pyrimidines with a phosphodiesterase v-inhibiting effect | MERCK PATENT GMBH (DE) | 2004-02-12 | — | — | US | disclosed |
| EP-1296986-A1 | 5-AMINOALKYL-PYRAZOLO 4,3-D]PYRIMIDINES WITH A PHOSPHODIESTERASE V-INHIBITING EFFECT | MERCK PATENT GmbH (DE) | 2003-04-02 | — | — | EP | disclosed |
| WO-2002000660-A1 | 5-AMINOALKYL-PYRAZOLO[4,3-D]PYRIMIDINES WITH A PHOSPHODIESTERASE V-INHIBITING EFFECT | MERCK PATENT GMBH (DE) | 2002-01-03 | — | — | WO | disclosed |