⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7440070 | 0.90 | AGTR1 (0.31) | — | |
| SCHEMBL7443560 | 0.86 | DPP4 (0.36) | — | |
| SCHEMBL7439097 | 0.83 | AGTR1 (0.34) | — | |
| SCHEMBL7440011 | 0.82 | AGTR1 (0.34) | — | |
| SCHEMBL7434191 | 0.81 | AGTR1 (0.31) | — | |
| SCHEMBL7432695 | 0.81 | — | — | |
| SCHEMBL7426716 | 0.81 | AGTR1 (0.34) | — | |
| SCHEMBL7438648 | 0.80 | AGTR1 (0.36) | — | |
| SCHEMBL7442125 | 0.79 | AGTR1 (0.32) | — | |
| SCHEMBL7446546 | 0.79 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0628559-B1 | Pyrimidine compounds and their use as pharmaceuticals | BEIERSDORF LILLY GMBH (DE) | 2002-04-03 | — | — | EP | disclosed |
| US-5602137-A | Pyrimidine compounds and their use as pharmaceuticals | BEIERSDORF-LILLY GMBH (DE) | 1997-02-11 | — | — | US | disclosed |
| US-5602136-A | Pyrimidine compounds and their use as pharmaceuticals | BEIERSDORF-LILLY GMBH (DE) | 1997-02-11 | — | — | US | disclosed |
| US-5571813-A | Fused pyrimidine compounds and their use as pharmaceuticals | BEIERSDORF-LILLY GMBH (DE) | 1996-11-05 | — | — | US | disclosed |
| EP-0628559-A1 | Pyrimidine compounds and their use as pharmaceuticals | Beiersdorf-Lilly GmbH (DE) | 1994-12-14 | — | — | EP | disclosed |