⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7449121 | 0.87 | AGTR1 (0.30) | — | |
| SCHEMBL7429051 | 0.87 | AGTR1 (0.34) | — | |
| SCHEMBL7440149 | 0.84 | IKBKB (0.31) | — | |
| SCHEMBL7447253 | 0.82 | — | — | |
| SCHEMBL7448452 | 0.82 | AGTR1 (0.38) | — | |
| SCHEMBL7442425 | 0.79 | MAP2K1 (0.40) | — | |
| SCHEMBL7440753 | 0.79 | AGTR1 (0.30) | — | |
| SCHEMBL7442467 | 0.78 | TRPA1 (0.30) | — | |
| SCHEMBL7444478 | 0.76 | CRHR1 (0.37) | — | |
| SCHEMBL7445765 | 0.76 | AGTR1 (0.31) | — |
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-5602136-A | Pyrimidine compounds and their use as pharmaceuticals | BEIERSDORF-LILLY GMBH (DE) | 1997-02-11 | — | — | US | disclosed |
| US-5602137-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 |