⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL989895 | 0.72 | CES1 (0.38) | — | |
| SCHEMBL2094005 | 0.69 | — | — | |
| SCHEMBL10026832 | 0.69 | GAA (0.31) | — | |
| SCHEMBL9687554 | 0.69 | — | — | |
| SCHEMBL13141066 | 0.69 | — | — | |
| SCHEMBL28886218 | 0.69 | — | — | |
| SCHEMBL9369528 | 0.69 | — | — | |
| SCHEMBL17790178 | 0.69 | — | — | |
| SCHEMBL671426 | 0.66 | PSEN1 (0.40) | — | |
| SCHEMBL28861146 | 0.64 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10647698-B2 | Tetrahydronaphthalene and tetrahydroisoquinoline derivatives as estrogen receptor degraders | ARVINAS OPERATIONS, INC. (US) | 2020-05-12 | — | — | US | disclosed |
| US-7482355-B2 | Asthma, antiallergens; rheumatoid arthritis and atherosclerosis; 2-(Benzylthio)-6-{[(1R)-2-hydroxy-1-methylethyl]amino}-4-pyrimidinol | ASTRAZENECA AB (SE) | 2009-01-27 | — | — | US | disclosed |
| EP-1539713-B1 | PYRIMIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | ASTRAZENECA AB (SE) | 2007-12-19 | — | — | EP | disclosed |
| US-20060004030-A1 | Pyrimidine derivatives as modulators of chemokine receptor activity | ASTRAZENECA AB (SE) | 2006-01-05 | — | — | US | disclosed |
| EP-1539713-A1 | PYRIMIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | Astrazeneca AB (SE) | 2005-06-15 | — | — | EP | disclosed |
| WO-2004018435-A1 | PYRIMIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | ASTRAZENECA AB (SE) | 2004-03-04 | — | — | WO | disclosed |