⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL983075 | 0.89 | LPL (0.32) | — | |
| SCHEMBL981865 | 0.88 | LPL (0.35) | — | |
| SCHEMBL983268 | 0.86 | KDM1A (0.32) | — | |
| SCHEMBL983393 | 0.82 | PDE4B (0.34) | — | |
| SCHEMBL985516 | 0.80 | HTR2C (0.31) | — | |
| SCHEMBL10076681 | 0.79 | L3MBTL1 (0.39) | — | |
| SCHEMBL984465 | 0.78 | SNCA (0.37) | — | |
| SCHEMBL26601625 | 0.76 | MAPT (0.37) | — | |
| SCHEMBL25796958 | 0.75 | KDM4E (0.44) | — | |
| SCHEMBL29534512 | 0.74 | LPL (0.37) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8445501-B2 | Substituted 7-carboxamido-pyrrolo[3,2-d]pyrimidines | TAKEDA GMBH (DE) | 2013-05-21 | — | — | US | disclosed |
| US-20110021479-A1 | PYRROLOPYRIMIDINECARBOXAMIDES | NYCOMED GMBH (DE) | 2011-01-27 | — | — | US | disclosed |
| EP-2247594-A1 | PYRROLOPYRIMIDINECARBOXAMIDES | Nycomed GmbH (DE) | 2010-11-10 | — | — | EP | disclosed |
| WO-2009106531-A1 | PYRROLOPYRIMIDINECARBOXAMIDES | NYCOMED GMBH (DE) | 2009-09-03 | — | — | WO | disclosed |